 Entering Gaussian System, Link 0=g16
 Input=19_methylcyclohexanone_Boat_STD_wB97XD-augccpVDZr.in
 Output=19_methylcyclohexanone_Boat_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/19_methylcyclohexanone_Boat_STD/Gau-32199.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/19_methylcyclohexanone_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     32201.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=19_methylcyclohexanone_Boat_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 21:57:15 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "19_methylcyclohexanone_Boat_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.598849000000      0.704366000000     -0.206529000000
  C                                                 1.101228000000     -0.711991000000      0.043642000000
  C                                                -0.113250000000     -0.805140000000      0.936088000000
  C                                                -1.304166000000      0.036131000000      0.404859000000
  O                                                 1.645599000000     -1.677610000000     -0.439886000000
  H                                                 1.880909000000      0.764552000000     -1.260050000000
  H                                                 2.521567000000      0.833636000000      0.367502000000
  H                                                 0.189114000000     -0.415856000000      1.914189000000
  H                                                -0.387393000000     -1.851222000000      1.064625000000
  H                                                -1.882232000000      0.353357000000      1.276987000000
  C                                                -2.214659000000     -0.802663000000     -0.488897000000
  H                                                -1.657245000000     -1.206857000000     -1.337618000000
  H                                                -3.035477000000     -0.200152000000     -0.884181000000
  H                                                -2.645488000000     -1.642727000000      0.058923000000
  C                                                 0.553737000000      1.766949000000      0.148811000000
  C                                                -0.819914000000      1.303231000000     -0.333141000000
  H                                                 0.822669000000      2.721592000000     -0.306662000000
  H                                                 0.531382000000      1.936615000000      1.229376000000
  H                                                -0.749828000000      1.087440000000     -1.405242000000
  H                                                -1.563723000000      2.095209000000     -0.227759000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1          12          12           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           0           0           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul  8 21:57:16 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.598849    0.704366   -0.206529
      2          6           0        1.101228   -0.711991    0.043642
      3          6           0       -0.113250   -0.805140    0.936088
      4          6           0       -1.304166    0.036131    0.404859
      5          8           0        1.645599   -1.677610   -0.439886
      6          1           0        1.880909    0.764552   -1.260050
      7          1           0        2.521567    0.833636    0.367502
      8          1           0        0.189114   -0.415856    1.914189
      9          1           0       -0.387393   -1.851222    1.064625
     10          1           0       -1.882232    0.353357    1.276987
     11          6           0       -2.214659   -0.802663   -0.488897
     12          1           0       -1.657245   -1.206857   -1.337618
     13          1           0       -3.035477   -0.200152   -0.884181
     14          1           0       -2.645488   -1.642727    0.058923
     15          6           0        0.553737    1.766949    0.148811
     16          6           0       -0.819914    1.303231   -0.333141
     17          1           0        0.822669    2.721592   -0.306662
     18          1           0        0.531382    1.936615    1.229376
     19          1           0       -0.749828    1.087440   -1.405242
     20          1           0       -1.563723    2.095209   -0.227759
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.521933   0.000000
     3  C    2.552541   1.509998   0.000000
     4  C    3.041024   2.544815   1.551845   0.000000
     5  O    2.393836   1.209363   2.397511   3.514487   0.000000
     6  H    1.092285   2.118418   3.356132   3.667045   2.586928
     7  H    1.094363   2.123961   3.154542   3.908151   2.779488
     8  H    2.782031   2.102045   1.095284   2.170773   3.042210
     9  H    3.477358   2.134536   1.089020   2.199515   2.535104
    10  H    3.800257   3.399579   2.141874   1.093343   4.417926
    11  C    4.110196   3.359602   2.538997   1.526883   3.958475
    12  H    3.941356   3.124411   2.777595   2.169311   3.454896
    13  H    4.770151   4.270265   3.495540   2.171380   4.928768
    14  H    4.857335   3.860620   2.807704   2.176552   4.320122
    15  C    1.532191   2.540856   2.771339   2.552077   3.661108
    16  C    2.495012   2.809603   2.560380   1.544243   3.869827
    17  H    2.163720   3.462629   3.854635   3.498770   4.477493
    18  H    2.172498   2.957330   2.831747   2.767834   4.134070
    19  H    2.664572   2.960342   3.077161   2.165411   3.783581
    20  H    3.454961   3.880205   3.445350   2.169649   4.957712
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.750469   0.000000
     8  H    3.785674   3.064932   0.000000
     9  H    4.170322   4.019514   1.764765   0.000000
    10  H    4.557068   4.522309   2.299606   2.672042   0.000000
    11  C    4.452473   5.083575   3.420901   2.617596   2.136641
    12  H    4.051050   4.953132   3.822169   2.792580   3.053039
    13  H    5.024220   5.789315   4.274973   3.679161   2.511373
    14  H    5.293671   5.738123   3.603081   2.480705   2.459795
    15  C    2.179696   2.188893   2.830927   3.849104   3.033969
    16  C    2.905818   3.446290   3.003979   3.477269   2.150184
    17  H    2.420501   2.627761   3.895786   4.924968   3.928482
    18  H    3.064669   2.433151   2.473911   3.901154   2.886954
    19  H    2.654452   3.729486   3.762995   3.855819   3.002594
    20  H    3.834288   4.316885   3.737088   4.316054   2.323738
                   11         12         13         14         15
    11  C    0.000000
    12  H    1.092891   0.000000
    13  H    1.092250   1.765951   0.000000
    14  H    1.091525   1.765484   1.767076   0.000000
    15  C    3.830613   3.992673   4.221258   4.676431   0.000000
    16  C    2.530684   2.830307   2.733592   3.487851   1.527818
    17  H    4.656065   4.758735   4.873952   5.586506   1.091386
    18  H    4.242269   4.610961   4.664266   4.926881   1.094032
    19  H    2.560841   2.468153   2.674619   3.631958   2.139181
    20  H    2.981539   3.484849   2.804573   3.901867   2.175591
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.170375   0.000000
    18  H    2.160703   1.749414   0.000000
    19  H    1.095846   2.519936   3.050215   0.000000
    20  H    1.091598   2.468491   2.556924   1.750568   0.000000
 Stoichiometry    C7H12O
 Framework group  C1[X(C7H12O)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.83D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.598849    0.704366   -0.206529
      2          6           0        1.101228   -0.711991    0.043642
      3          6           0       -0.113250   -0.805140    0.936088
      4          6           0       -1.304166    0.036131    0.404859
      5          8           0        1.645599   -1.677610   -0.439886
      6          1           0        1.880909    0.764551   -1.260050
      7          1           0        2.521567    0.833635    0.367502
      8          1           0        0.189114   -0.415856    1.914189
      9          1           0       -0.387393   -1.851222    1.064625
     10          1           0       -1.882232    0.353357    1.276987
     11          6           0       -2.214659   -0.802663   -0.488897
     12          1           0       -1.657245   -1.206857   -1.337618
     13          1           0       -3.035477   -0.200151   -0.884181
     14          1           0       -2.645488   -1.642726    0.058923
     15          6           0        0.553737    1.766949    0.148811
     16          6           0       -0.819914    1.303231   -0.333141
     17          1           0        0.822670    2.721592   -0.306662
     18          1           0        0.531383    1.936615    1.229376
     19          1           0       -0.749828    1.087440   -1.405242
     20          1           0       -1.563722    2.095209   -0.227759
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.6603753           2.0000547           1.3560924
 Leave Link  202 at Thu Jul  8 21:57:16 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     12     13     14     17     18
 Centers:      19     20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4     11     15     16
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 320 were deleted.
 There are   308 symmetry adapted cartesian basis functions of A   symmetry.
 There are   292 symmetry adapted basis functions of A   symmetry.
   292 basis functions,   520 primitive gaussians,   308 cartesian basis functions
    31 alpha electrons       31 beta electrons
       nuclear repulsion energy       391.2914351105 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0135633299 Hartrees.
 Nuclear repulsion after empirical dispersion term =      391.2778717806 Hartrees.
 Leave Link  301 at Thu Jul  8 21:57:19 2021, MaxMem= 10737418240 cpu:              34.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   292 RedAO= T EigKep=  8.70D-06  NBF=   292
 NBsUse=   292 1.00D-06 EigRej= -1.00D+00 NBFU=   292
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   308   308   308   308   308 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Jul  8 21:57:20 2021, MaxMem= 10737418240 cpu:               7.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 21:57:20 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "19_methylcyclohexanone_Boat_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 21:57:21 2021, MaxMem= 10737418240 cpu:               7.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737220520 LenY= 10737125215
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -349.134090570487    
 DIIS: error= 1.71D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -349.134090570487     IErMin= 1 ErrMin= 1.71D-03
 ErrMax= 1.71D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.16D-03 BMatP= 4.16D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.71D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.376 Goal=   None    Shift=    0.000
 GapD=    0.376 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.04D-02 MaxDP=8.81D-01              OVMax= 1.50D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.95D-03    CP:  1.12D+00
 E= -349.137666197691     Delta-E=       -0.003575627204 Rises=F Damp=F
 DIIS: error= 2.52D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -349.137666197691     IErMin= 2 ErrMin= 2.52D-04
 ErrMax= 2.52D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.80D-05 BMatP= 4.16D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.52D-03
 Coeff-Com: -0.434D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.433D-01 0.104D+01
 Gap=     0.356 Goal=   None    Shift=    0.000
 RMSDP=1.37D-03 MaxDP=8.15D-02 DE=-3.58D-03 OVMax= 5.37D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.15D-04    CP:  1.13D+00  1.11D+00
 E= -349.137720411942     Delta-E=       -0.000054214251 Rises=F Damp=F
 DIIS: error= 3.14D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -349.137720411942     IErMin= 2 ErrMin= 2.52D-04
 ErrMax= 3.14D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.09D-04 BMatP= 8.80D-05
 IDIUse=3 WtCom= 3.61D-01 WtEn= 6.39D-01
 Coeff-Com: -0.440D-01 0.576D+00 0.468D+00
 Coeff-En:   0.000D+00 0.245D+00 0.755D+00
 Coeff:     -0.159D-01 0.364D+00 0.652D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=1.46D-04 MaxDP=6.70D-03 DE=-5.42D-05 OVMax= 3.32D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.74D-05    CP:  1.13D+00  1.12D+00  1.11D+00
 E= -349.137770894744     Delta-E=       -0.000050482802 Rises=F Damp=F
 DIIS: error= 2.06D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -349.137770894744     IErMin= 4 ErrMin= 2.06D-04
 ErrMax= 2.06D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.39D-05 BMatP= 8.80D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.06D-03
 Coeff-Com: -0.326D-02-0.375D-01 0.390D+00 0.651D+00
 Coeff-En:   0.000D+00 0.000D+00 0.297D+00 0.703D+00
 Coeff:     -0.325D-02-0.374D-01 0.389D+00 0.651D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=1.07D-04 MaxDP=6.30D-03 DE=-5.05D-05 OVMax= 1.44D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.04D-05    CP:  1.13D+00  1.13D+00  1.24D+00  9.37D-01
 E= -349.137803143687     Delta-E=       -0.000032248943 Rises=F Damp=F
 DIIS: error= 1.44D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -349.137803143687     IErMin= 5 ErrMin= 1.44D-05
 ErrMax= 1.44D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.61D-07 BMatP= 4.39D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.241D-02-0.602D-01 0.908D-01 0.214D+00 0.753D+00
 Coeff:      0.241D-02-0.602D-01 0.908D-01 0.214D+00 0.753D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=3.07D-05 MaxDP=1.86D-03 DE=-3.22D-05 OVMax= 2.23D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.78D-06    CP:  1.13D+00  1.13D+00  1.28D+00  1.01D+00  1.22D+00
 E= -349.137803454121     Delta-E=       -0.000000310433 Rises=F Damp=F
 DIIS: error= 4.48D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -349.137803454121     IErMin= 6 ErrMin= 4.48D-06
 ErrMax= 4.48D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-08 BMatP= 2.61D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.784D-03-0.112D-01 0.932D-03 0.135D-01 0.188D+00 0.808D+00
 Coeff:      0.784D-03-0.112D-01 0.932D-03 0.135D-01 0.188D+00 0.808D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=5.77D-06 MaxDP=3.15D-04 DE=-3.10D-07 OVMax= 5.61D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.25D-06    CP:  1.13D+00  1.13D+00  1.28D+00  1.04D+00  1.30D+00
                    CP:  1.10D+00
 E= -349.137803473486     Delta-E=       -0.000000019365 Rises=F Damp=F
 DIIS: error= 1.24D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -349.137803473486     IErMin= 7 ErrMin= 1.24D-06
 ErrMax= 1.24D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-09 BMatP= 1.30D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.469D-04 0.265D-02-0.772D-02-0.169D-01-0.342D-01 0.159D+00
 Coeff-Com:  0.897D+00
 Coeff:     -0.469D-04 0.265D-02-0.772D-02-0.169D-01-0.342D-01 0.159D+00
 Coeff:      0.897D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=2.19D-06 MaxDP=1.03D-04 DE=-1.94D-08 OVMax= 2.79D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.46D-07    CP:  1.13D+00  1.13D+00  1.28D+00  1.04D+00  1.32D+00
                    CP:  1.17D+00  1.23D+00
 E= -349.137803475712     Delta-E=       -0.000000002226 Rises=F Damp=F
 DIIS: error= 3.85D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -349.137803475712     IErMin= 8 ErrMin= 3.85D-07
 ErrMax= 3.85D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-10 BMatP= 1.26D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.739D-04 0.175D-02-0.252D-02-0.662D-02-0.270D-01-0.171D-01
 Coeff-Com:  0.285D+00 0.767D+00
 Coeff:     -0.739D-04 0.175D-02-0.252D-02-0.662D-02-0.270D-01-0.171D-01
 Coeff:      0.285D+00 0.767D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=3.31D-07 MaxDP=1.47D-05 DE=-2.23D-09 OVMax= 6.82D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.52D-07    CP:  1.13D+00  1.13D+00  1.28D+00  1.04D+00  1.33D+00
                    CP:  1.18D+00  1.33D+00  1.12D+00
 E= -349.137803475925     Delta-E=       -0.000000000214 Rises=F Damp=F
 DIIS: error= 9.29D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -349.137803475925     IErMin= 9 ErrMin= 9.29D-08
 ErrMax= 9.29D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.24D-12 BMatP= 1.41D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.124D-04 0.143D-03 0.204D-03 0.153D-03-0.245D-02-0.171D-01
 Coeff-Com: -0.175D-01 0.145D+00 0.891D+00
 Coeff:     -0.124D-04 0.143D-03 0.204D-03 0.153D-03-0.245D-02-0.171D-01
 Coeff:     -0.175D-01 0.145D+00 0.891D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=1.10D-07 MaxDP=6.30D-06 DE=-2.14D-10 OVMax= 2.48D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.20D-08    CP:  1.13D+00  1.13D+00  1.28D+00  1.04D+00  1.32D+00
                    CP:  1.18D+00  1.34D+00  1.18D+00  1.04D+00
 E= -349.137803475935     Delta-E=       -0.000000000009 Rises=F Damp=F
 DIIS: error= 2.16D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -349.137803475935     IErMin=10 ErrMin= 2.16D-08
 ErrMax= 2.16D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.20D-13 BMatP= 7.24D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.468D-05-0.135D-03 0.254D-03 0.619D-03 0.191D-02-0.143D-02
 Coeff-Com: -0.276D-01-0.414D-01 0.147D+00 0.921D+00
 Coeff:      0.468D-05-0.135D-03 0.254D-03 0.619D-03 0.191D-02-0.143D-02
 Coeff:     -0.276D-01-0.414D-01 0.147D+00 0.921D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=4.21D-08 MaxDP=3.54D-06 DE=-9.21D-12 OVMax= 1.10D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.60D-08    CP:  1.13D+00  1.13D+00  1.28D+00  1.04D+00  1.32D+00
                    CP:  1.18D+00  1.34D+00  1.19D+00  1.10D+00  1.16D+00
 E= -349.137803475932     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 9.61D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -349.137803475935     IErMin=11 ErrMin= 9.61D-09
 ErrMax= 9.61D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.53D-14 BMatP= 6.20D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.165D-05-0.307D-04 0.230D-04 0.871D-04 0.449D-03 0.112D-02
 Coeff-Com: -0.249D-02-0.159D-01-0.515D-01 0.123D+00 0.945D+00
 Coeff:      0.165D-05-0.307D-04 0.230D-04 0.871D-04 0.449D-03 0.112D-02
 Coeff:     -0.249D-02-0.159D-01-0.515D-01 0.123D+00 0.945D+00
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=9.23D-09 MaxDP=5.16D-07 DE= 2.27D-12 OVMax= 5.29D-07

 SCF Done:  E(RwB97XD) =  -349.137803476     A.U. after   11 cycles
            NFock= 11  Conv=0.92D-08     -V/T= 2.0064
 KE= 3.469102189343D+02 PE=-1.593868860306D+03 EE= 5.065429661155D+02
 Leave Link  502 at Thu Jul  8 21:59:15 2021, MaxMem= 10737418240 cpu:            1821.0 elap:             114.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   292
 NBasis=   292 NAE=    31 NBE=    31 NFC=     0 NFV=     0
 NROrb=    292 NOA=    31 NOB=    31 NVA=   261 NVB=   261

 **** Warning!!: The largest alpha MO coefficient is  0.63571265D+02

 Leave Link  801 at Thu Jul  8 21:59:16 2021, MaxMem= 10737418240 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6192 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.35D-13 8.33D-09 XBig12= 1.00D+00 1.89D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.35D-13 8.33D-09 XBig12= 1.31D-01 6.33D-02.
     11 vectors produced by pass  2 Test12= 1.35D-13 8.33D-09 XBig12= 2.06D-02 2.04D-02.
     11 vectors produced by pass  3 Test12= 1.35D-13 8.33D-09 XBig12= 1.77D-03 8.80D-03.
     11 vectors produced by pass  4 Test12= 1.35D-13 8.33D-09 XBig12= 6.95D-05 1.50D-03.
     11 vectors produced by pass  5 Test12= 1.35D-13 8.33D-09 XBig12= 1.51D-06 2.17D-04.
     11 vectors produced by pass  6 Test12= 1.35D-13 8.33D-09 XBig12= 4.40D-08 3.98D-05.
     11 vectors produced by pass  7 Test12= 1.35D-13 8.33D-09 XBig12= 8.86D-10 5.12D-06.
     11 vectors produced by pass  8 Test12= 1.35D-13 8.33D-09 XBig12= 1.67D-11 6.30D-07.
      9 vectors produced by pass  9 Test12= 1.35D-13 8.33D-09 XBig12= 3.08D-13 7.02D-08.
      2 vectors produced by pass 10 Test12= 1.35D-13 8.33D-09 XBig12= 5.30D-15 9.25D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.920085D+02
      2  0.338643D+00  0.907925D+02
      3 -0.194278D+01  0.707771D+00  0.757835D+02
 Isotropic polarizability for W=    0.093368       86.19 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.430045D+02 -0.205956D+02 -0.202991D+02
      2   0.259559D+02  0.273169D+02  0.292741D+01
      3   0.170486D+02 -0.672131D+01  0.173717D+02
      4   0.687440D+01 -0.607873D+01  0.139756D+02
      5  -0.179465D+02  0.983342D+01 -0.264406D+02
      6   0.100205D+02 -0.447942D+01  0.163672D+02
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.398711D+01  0.268665D+01 -0.809507D+01
      2  -0.141134D+02  0.490830D+01 -0.143814D+02
      3   0.161378D+02  0.884345D+01  0.126942D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.414219D+01 -0.740683D+01 -0.230885D+02
      2  -0.235255D+01  0.395511D+01 -0.434892D+02
      3   0.274700D+02  0.320346D+02  0.187072D+00
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.205331D+01  0.163678D+01 -0.146298D+01
      2   0.163678D+01 -0.370064D+00 -0.473352D-01
      3  -0.146298D+01 -0.473352D-01  0.507362D+00
 OR G Eigenvalues:    -1.4412     0.1454     3.4864  Iso=    -0.7302
 Eigenvectors:
   (1)  -0.516413   0.772786  -0.368943
   (2)   0.188730   0.522952   0.831205
   (3)   0.835283   0.359615  -0.415908
 w=    0.093368 a.u., Optical Rotation Beta=     -0.7302 au.
 Molar Mass =    112.1712 grams/mole, [Alpha] ( 4880.0 A) =     -366.92 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   42778 ScalPx= 7.10D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   42778 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.77D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.25D-14 2.78D-09 XBig12= 1.00D+00 2.91D-01.
     30 vectors produced by pass  1 Test12= 2.25D-14 2.78D-09 XBig12= 1.60D-02 1.98D-02.
     30 vectors produced by pass  2 Test12= 2.25D-14 2.78D-09 XBig12= 1.40D-03 4.10D-03.
     30 vectors produced by pass  3 Test12= 2.25D-14 2.78D-09 XBig12= 1.72D-05 4.45D-04.
     30 vectors produced by pass  4 Test12= 2.25D-14 2.78D-09 XBig12= 2.05D-07 4.40D-05.
     30 vectors produced by pass  5 Test12= 2.25D-14 2.78D-09 XBig12= 1.63D-09 4.18D-06.
     30 vectors produced by pass  6 Test12= 2.25D-14 2.78D-09 XBig12= 1.14D-11 3.39D-07.
     29 vectors produced by pass  7 Test12= 2.25D-14 2.78D-09 XBig12= 7.21D-14 2.29D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   239 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   42778 ScalPx= 3.32D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   42778 ScalPx= 3.32D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   42778 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.85D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.920085D+02  0.338643D+00 -0.194278D+01
      2   0.338643D+00  0.907925D+02  0.707771D+00
      3  -0.194278D+01  0.707771D+00  0.757835D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.398711D+01  0.268665D+01 -0.809507D+01
      2  -0.141134D+02  0.490830D+01 -0.143814D+02
      3   0.161378D+02  0.884345D+01  0.126942D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.430045D+02 -0.205956D+02 -0.202991D+02
      2   0.259559D+02  0.273169D+02  0.292741D+01
      3   0.170486D+02 -0.672131D+01  0.173717D+02
      4   0.687440D+01 -0.607873D+01  0.139756D+02
      5  -0.179465D+02  0.983342D+01 -0.264406D+02
      6   0.100205D+02 -0.447942D+01  0.163672D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.478754D+01 -0.232468D+01 -0.167674D+01 -0.873256D+00  0.280233D+01
      2  -0.232468D+01  0.289800D+00 -0.279516D+00  0.280233D+01  0.242268D+01
      3  -0.167674D+01 -0.279516D+00 -0.258533D+01 -0.521377D+00 -0.183678D+01
                 6             7             8             9            10 
      1  -0.521377D+00 -0.233388D+01 -0.470227D+00 -0.350704D+01  0.847911D+00
      2  -0.183678D+01 -0.470227D+00 -0.105814D+01 -0.711950D+00  0.302618D+01
      3  -0.875443D-01 -0.350704D+01 -0.711950D+00  0.488901D+01 -0.628755D-01
                11            12            13            14            15 
      1   0.302618D+01 -0.628755D-01  0.134850D+01 -0.460331D+01 -0.733032D+00
      2  -0.387185D+01 -0.141780D+01 -0.460331D+01 -0.355658D+00  0.355699D+01
      3  -0.141780D+01  0.159037D+01 -0.733032D+00  0.355699D+01  0.698332D+00
                16            17            18            19            20 
      1   0.842964D+00 -0.190933D+01  0.796322D+00  0.188384D+01 -0.281331D+01
      2  -0.190933D+01  0.300298D+01  0.166845D+01 -0.281331D+01  0.337438D+01
      3   0.796322D+00  0.166845D+01 -0.525829D+00  0.164057D+01 -0.765181D+00
                21            22            23            24            25 
      1   0.164057D+01 -0.314158D+01  0.322041D+01 -0.128376D+01  0.867026D+00
      2  -0.765181D+00  0.322041D+01  0.577968D+01 -0.220059D+01 -0.690635D+00
      3  -0.203834D+01 -0.128376D+01 -0.220059D+01 -0.186331D+01 -0.152588D+01
                26            27            28            29            30 
      1  -0.690635D+00 -0.152588D+01 -0.220389D+01  0.267853D+01 -0.128507D+01
      2  -0.112247D+01 -0.194287D+01  0.267853D+01 -0.185669D+01  0.315571D+01
      3  -0.194287D+01 -0.336201D+01 -0.128507D+01  0.315571D+01  0.274996D+01
                31            32            33            34            35 
      1   0.386879D+01 -0.207222D+01  0.288181D+01 -0.141175D+01  0.385728D+01
      2  -0.207222D+01 -0.263869D+01  0.103587D+01  0.385728D+01  0.196386D+01
      3   0.288181D+01  0.103587D+01 -0.647226D+00  0.296557D+01 -0.104898D+01
                36            37            38            39            40 
      1   0.296557D+01  0.501204D+01 -0.446277D+01 -0.152405D+01 -0.394072D+01
      2  -0.104898D+01 -0.446277D+01  0.386063D+01  0.819809D+00  0.519653D+01
      3  -0.393774D+01 -0.152405D+01  0.819809D+00  0.472785D+00  0.113983D+01
                41            42            43            44            45 
      1   0.519653D+01  0.113983D+01 -0.201202D+01  0.155315D+01  0.189065D+01
      2  -0.100417D+02 -0.316926D+01  0.155315D+01 -0.314147D+01 -0.374954D+01
      3  -0.316926D+01 -0.191892D+01  0.189065D+01 -0.374954D+01 -0.264830D+01
                46            47            48            49            50 
      1   0.204608D+01  0.716264D+00 -0.139732D+01  0.181186D+00  0.161540D+00
      2   0.716264D+00  0.539677D+00 -0.223540D+00  0.161540D+00  0.132206D+00
      3  -0.139732D+01 -0.223540D+00  0.140261D+01  0.136727D+00 -0.799788D+00
                51            52            53            54            55 
      1   0.136727D+00 -0.263796D+01 -0.249505D+00  0.301789D+01  0.865447D+01
      2  -0.799788D+00 -0.249505D+00 -0.173395D+01  0.105042D+01  0.192731D+01
      3   0.341187D+00  0.301789D+01  0.105042D+01 -0.697026D+01  0.224164D+01
                56            57            58            59            60 
      1   0.192731D+01  0.224164D+01  0.614862D+00  0.916328D+00  0.288967D+00
      2   0.178196D+01  0.387724D+00  0.916328D+00  0.794806D+00  0.783406D+00
      3   0.387724D+00  0.176565D+01  0.288967D+00  0.783406D+00  0.306942D+00
                61            62            63            64            65 
      1   0.390731D+01  0.658118D+00  0.233223D+01  0.531935D+00  0.623312D+00
      2   0.658118D+00  0.147090D+01  0.801054D+00  0.623312D+00 -0.139376D-01
      3   0.233223D+01  0.801054D+00  0.142141D+01  0.100540D+01  0.147513D+00
                66            67            68            69            70 
      1   0.100540D+01  0.158691D+01 -0.219055D+00  0.154778D+00  0.148937D+01
      2   0.147513D+00 -0.219055D+00  0.751011D+00  0.123141D+01  0.213258D+00
      3   0.185959D+01  0.154778D+00  0.123141D+01  0.184985D+01  0.108953D+01
                71            72            73            74            75 
      1   0.213258D+00  0.108953D+01 -0.108737D+01 -0.107723D+01  0.870588D-01
      2   0.123995D+01  0.854308D+00 -0.107723D+01 -0.135155D+01  0.470124D+00
      3   0.854308D+00  0.810402D+01  0.870588D-01  0.470124D+00 -0.247355D+00
                76            77            78            79            80 
      1  -0.173876D+01 -0.151472D+01  0.428121D+00 -0.286190D-01  0.225802D+00
      2  -0.151472D+01 -0.820520D+01  0.238696D+01  0.225802D+00  0.751724D+00
      3   0.428121D+00  0.238696D+01 -0.173011D+01 -0.108502D+00 -0.108758D+01
                81            82            83            84            85 
      1  -0.108502D+00 -0.351136D+01  0.386442D+00  0.240895D+01  0.743900D+00
      2  -0.108758D+01  0.386442D+00 -0.838430D+00 -0.100307D+01 -0.763681D+00
      3   0.135125D+01  0.240895D+01 -0.100307D+01 -0.296710D+01 -0.107355D+01
                86            87            88            89            90 
      1  -0.763681D+00 -0.107355D+01  0.307010D+01 -0.988612D+00 -0.295799D+01
      2   0.141628D+01  0.117166D+01 -0.988612D+00  0.123130D+01  0.118429D+01
      3   0.117166D+01  0.156397D+01 -0.295799D+01  0.118429D+01  0.572926D+01
                91            92            93            94            95 
      1   0.281286D+01 -0.201868D+01  0.114336D+01 -0.321764D+01  0.258048D+01
      2  -0.201868D+01  0.170102D+01 -0.387282D+01  0.258048D+01  0.276675D+01
      3   0.114336D+01 -0.387282D+01 -0.164281D+01 -0.448569D+01 -0.133286D+01
                96            97            98            99           100 
      1  -0.448569D+01  0.384280D+00 -0.466336D+01 -0.114660D+01  0.144252D+01
      2  -0.133286D+01 -0.466336D+01 -0.214808D+01  0.162445D+01 -0.123211D+00
      3   0.978460D+00 -0.114660D+01  0.162445D+01  0.255010D+01 -0.959546D+00
               101           102           103           104           105 
      1  -0.123211D+00 -0.959546D+00 -0.458978D+00  0.581650D-04  0.611903D+00
      2   0.103289D+01  0.116277D+01  0.581650D-04 -0.185980D+01 -0.123795D+01
      3   0.116277D+01  0.222210D+01  0.611903D+00 -0.123795D+01 -0.165732D+01
               106           107           108           109           110 
      1  -0.166048D+01  0.471940D+00  0.606725D+00 -0.721248D+01  0.160140D+01
      2   0.471940D+00 -0.164744D+01 -0.193588D+01  0.160140D+01 -0.176278D+01
      3   0.606725D+00 -0.193588D+01 -0.496684D+01 -0.239591D+01  0.896514D+00
               111           112           113           114           115 
      1  -0.239591D+01  0.391489D+01 -0.179620D+01  0.168544D+01 -0.233948D+01
      2   0.896514D+00 -0.179620D+01  0.164034D+01 -0.641448D+00  0.954598D+00
      3  -0.156065D+01  0.168544D+01 -0.641448D+00  0.119497D+01 -0.184649D+01
               116           117           118           119           120 
      1   0.954598D+00 -0.184649D+01 -0.310111D+01 -0.199068D+01  0.655139D+00
      2  -0.540422D+00  0.424283D+00 -0.199068D+01 -0.234079D+01  0.946769D+00
      3   0.424283D+00 -0.184292D+01  0.655139D+00  0.946769D+00 -0.679752D+00
               121           122           123           124           125 
      1  -0.273592D+01 -0.331028D+01  0.103407D+01  0.201565D+01  0.184075D+01
      2  -0.331028D+01 -0.580932D+01  0.144603D+01  0.184075D+01  0.270135D+01
      3   0.103407D+01  0.144603D+01 -0.157046D+01 -0.834539D+00 -0.159321D+01
               126           127           128           129           130 
      1  -0.834539D+00  0.225548D+01  0.221873D+01  0.170402D+01  0.262344D+01
      2  -0.159321D+01  0.221873D+01 -0.263460D+01  0.564938D+00 -0.321190D+01
      3   0.147991D+01  0.170402D+01  0.564938D+00  0.855500D-01  0.702130D+00
               131           132           133           134           135 
      1  -0.321190D+01  0.702130D+00  0.174708D+01  0.960518D+00  0.177733D-01
      2  -0.446705D+01  0.206575D+01  0.960518D+00  0.339625D+01 -0.265279D+01
      3   0.206575D+01 -0.148614D+01  0.177733D-01 -0.265279D+01 -0.643584D+01
               136           137           138           139           140 
      1   0.475282D-01 -0.386582D+01 -0.801722D+00 -0.383143D+01  0.402454D+01
      2  -0.386582D+01  0.377447D+01 -0.113885D+01  0.402454D+01  0.506358D+00
      3  -0.801722D+00 -0.113885D+01 -0.227333D+00 -0.975945D+00 -0.108334D+01
               141           142           143           144           145 
      1  -0.975945D+00 -0.134323D+01 -0.747437D+00 -0.268293D+00  0.112095D+01
      2  -0.108334D+01 -0.747437D+00 -0.246540D+01  0.147601D+01  0.158033D+01
      3   0.191168D+01 -0.268293D+00  0.147601D+01  0.641714D+01 -0.692035D+00
               146           147           148           149           150 
      1   0.158033D+01 -0.692035D+00  0.169326D+01  0.232426D+01 -0.372180D+00
      2   0.207809D+01 -0.368110D+00  0.232426D+01  0.102222D+02 -0.177446D+01
      3  -0.368110D+00  0.234185D+00 -0.372180D+00 -0.177446D+01  0.135519D+01
               151           152           153           154           155 
      1  -0.112336D+01 -0.773399D+00  0.466181D+00 -0.264792D+00  0.956106D-01
      2  -0.773399D+00 -0.339059D+01  0.197908D+01  0.956106D-01  0.222122D+00
      3   0.466181D+00  0.197908D+01 -0.568912D+00  0.770702D+00 -0.989194D-01
               156           157           158           159           160 
      1   0.770702D+00  0.358741D-01  0.376275D+00  0.196662D-01  0.158665D+01
      2  -0.989194D-01  0.376275D+00  0.174510D+01  0.132032D+01  0.118327D+00
      3  -0.110720D+00  0.196662D-01  0.132032D+01  0.127527D+01  0.429172D+00
               161           162           163           164           165 
      1   0.118327D+00  0.429172D+00  0.392672D+00  0.416922D+00 -0.720401D+00
      2   0.218208D+01  0.269910D+01  0.416922D+00 -0.199501D+00  0.148839D+00
      3   0.269910D+01  0.754271D+01 -0.720401D+00  0.148839D+00  0.406210D+00
               166           167           168           169           170 
      1  -0.173940D+00 -0.546078D+00  0.456827D-02 -0.168571D+01 -0.258278D+00
      2  -0.546078D+00 -0.457592D+00 -0.777655D+00 -0.258278D+00 -0.139453D+01
      3   0.456827D-02 -0.777655D+00 -0.111700D+01 -0.682219D+00  0.257529D+00
               171           172           173           174           175 
      1  -0.682219D+00 -0.487975D+01  0.340534D+01 -0.141171D+00  0.350059D+01
      2   0.257529D+00  0.340534D+01 -0.378492D+01  0.467089D+00 -0.356532D+01
      3  -0.772274D+01 -0.141171D+00  0.467089D+00 -0.729610D+00  0.357506D+00
               176           177           178           179           180 
      1  -0.356532D+01  0.357506D+00  0.666068D+00 -0.102955D+00 -0.734483D+00
      2   0.565766D+01 -0.144254D+00 -0.102955D+00  0.702101D+00  0.703829D+00
      3  -0.144254D+00  0.602181D+00 -0.734483D+00  0.703829D+00 -0.503411D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.162770D+01  0.400972D+00  0.529131D+00 -0.968897D+00 -0.456976D+00
      2  -0.569113D+01 -0.111046D+01 -0.626614D+01  0.826472D+00 -0.262370D+01
      3   0.534326D+01 -0.919904D+01 -0.346049D+01 -0.475994D+01 -0.289238D+01
                 6             7             8             9            10 
      1  -0.340208D+01  0.120446D+01  0.498804D+01 -0.325570D+01  0.430835D+01
      2   0.171063D+01 -0.122278D+02 -0.317315D+01  0.884500D+01 -0.155158D+02
      3   0.515970D+01 -0.456281D+01  0.198582D+01 -0.115893D+00 -0.578419D+01
                11            12            13            14            15 
      1   0.411900D+01 -0.205315D+01  0.392353D+01 -0.104943D+01  0.669064D+01
      2  -0.722948D+01  0.385137D+01 -0.439201D+01  0.712176D+01 -0.229257D+01
      3  -0.624009D+01  0.298596D+01  0.134014D+01  0.339189D+01 -0.853039D+01
                16            17            18            19            20 
      1   0.743727D-01  0.139568D+02  0.777570D+00 -0.393418D+01  0.206884D+01
      2  -0.122115D+02 -0.400171D+01  0.103161D+02 -0.424434D+01  0.662103D+01
      3  -0.192054D+01 -0.947241D+01  0.461772D+00  0.200807D+01  0.118190D+01
                21            22            23            24            25 
      1  -0.410116D+01  0.253090D+01  0.440131D+01 -0.778417D+01 -0.435853D+01
      2   0.238109D+01  0.728097D+01 -0.497953D+01  0.448128D+01 -0.877789D+01
      3  -0.239004D+01  0.633943D+01 -0.679658D+01  0.274466D+01 -0.269226D+01
                26            27            28            29            30 
      1  -0.281830D+01 -0.625860D+01  0.303034D+01 -0.982424D+00  0.142360D+00
      2   0.502224D+01  0.353072D+00  0.865705D+01 -0.858104D+01  0.675786D+00
      3   0.316455D+01  0.161407D+01  0.472002D+01 -0.688355D+01  0.705060D+01
                31            32            33            34            35 
      1  -0.177616D+01  0.110494D+01 -0.132539D+01  0.165984D+01  0.587876D+01
      2  -0.125572D+02 -0.126777D+01  0.165166D+01 -0.180108D+01 -0.125462D+01
      3  -0.267639D+00 -0.449595D+01  0.241771D+01  0.922019D+01  0.237782D+01
                36            37            38            39            40 
      1   0.729531D+00 -0.341750D+01 -0.180615D+01  0.397399D+01  0.134452D+01
      2   0.271095D+01  0.145895D+01  0.389841D+01  0.444481D+01  0.337534D+01
      3  -0.287877D+01 -0.585777D+00 -0.306027D+01 -0.299707D+00  0.674143D+01
                41            42            43            44            45 
      1  -0.323764D+00 -0.979189D+01  0.157488D+01 -0.255916D+01 -0.422919D+01
      2  -0.709095D+01 -0.458178D+01  0.366438D+01 -0.194356D+01 -0.835436D+01
      3   0.117816D+02  0.301403D+01  0.442293D+01  0.591081D+01  0.226131D+01
                46            47            48            49            50 
      1   0.120049D+01  0.292059D+00 -0.110612D+01  0.503907D+00 -0.741009D+00
      2  -0.240815D+01 -0.951259D+00  0.412130D+01  0.576234D-01 -0.622126D+00
      3  -0.121720D+00 -0.143018D+01 -0.567170D+00  0.179490D+01  0.971705D+00
                51            52            53            54            55 
      1  -0.104119D+01 -0.258404D+01  0.170098D+01  0.544561D+01 -0.306453D+01
      2   0.152288D+00  0.428269D+01  0.345146D+01 -0.154696D+02  0.918101D+01
      3   0.817808D+00 -0.702285D+00  0.455742D+01 -0.419898D+00  0.556132D+01
                56            57            58            59            60 
      1  -0.851278D+00 -0.158027D+01  0.314438D+00  0.766172D+00 -0.105777D+01
      2   0.246874D+01  0.631639D+01  0.269660D+00  0.912622D+00  0.524990D+00
      3  -0.325367D+01  0.134713D+01  0.511962D+00 -0.119956D+01 -0.172233D+01
                61            62            63            64            65 
      1  -0.254834D+01 -0.283993D-01 -0.118713D+01  0.130072D+01  0.126344D+01
      2   0.600926D+01  0.297408D+01  0.403708D+01  0.180298D+00 -0.130752D+01
      3   0.334513D+01 -0.315128D+01  0.775143D+00 -0.958476D-01 -0.230811D+01
                66            67            68            69            70 
      1   0.299022D+01 -0.391546D+00  0.349161D+01  0.332886D+01  0.186519D+01
      2  -0.233634D+01 -0.166236D+01 -0.150685D+00 -0.127757D+01 -0.352888D+01
      3  -0.146210D+01 -0.995862D-01  0.108084D+00 -0.689646D+00 -0.100538D+01
                71            72            73            74            75 
      1   0.512256D+01  0.914866D+01 -0.122631D+01 -0.202276D+01 -0.181063D+00
      2  -0.593136D+00 -0.385352D+01  0.901950D+00  0.117956D+01  0.135882D+01
      3  -0.691742D+00 -0.221180D+01  0.116559D+01 -0.666676D+00  0.810722D+00
                76            77            78            79            80 
      1  -0.158517D+01 -0.754125D+01 -0.180642D+01  0.770995D+00  0.119375D+01
      2   0.310726D+01  0.134134D+01  0.136859D-02 -0.123044D+01 -0.238860D+00
      3   0.562935D+01  0.801491D+00 -0.264357D+00  0.324576D+00  0.369790D+00
                81            82            83            84            85 
      1  -0.246831D-01 -0.868342D-02 -0.149921D+01 -0.433140D-01 -0.919231D-01
      2   0.544666D-02 -0.106815D+00  0.117866D+01  0.377199D+01  0.722647D-01
      3   0.941406D-01  0.182806D+00 -0.313792D+01 -0.183341D+01  0.372496D-01
                86            87            88            89            90 
      1   0.110419D+01 -0.826291D+00  0.150622D+00  0.258935D+01 -0.398340D+00
      2  -0.284973D+00 -0.878694D+00 -0.247253D+01 -0.278414D+00 -0.586120D+01
      3   0.331501D+01  0.191136D+01 -0.204164D+01  0.326934D+01  0.218714D+01
                91            92            93            94            95 
      1   0.172849D+01 -0.604302D+01  0.174137D+01 -0.809966D+01 -0.420909D+01
      2  -0.136586D+01  0.110508D+02  0.793913D+01  0.125124D+02  0.501977D+01
      3  -0.924445D+01  0.383852D+01 -0.124754D+02  0.120608D+02  0.495226D+01
                96            97            98            99           100 
      1   0.258273D+00  0.296709D+01  0.448719D+01  0.156363D+01 -0.799547D+00
      2  -0.604970D+01  0.868688D+00 -0.685732D+01 -0.763963D+01  0.531637D+01
      3   0.110162D+01 -0.132566D+02 -0.774646D+00  0.479221D+01 -0.298620D+01
               101           102           103           104           105 
      1  -0.538518D+00  0.177416D+01  0.556149D+00  0.519935D+00 -0.223748D+01
      2  -0.293365D+01 -0.550415D+01 -0.284214D+01  0.331061D+01  0.481961D+01
      3   0.186776D+01  0.391500D+01  0.220882D+01 -0.420179D+01 -0.388879D+01
               106           107           108           109           110 
      1   0.635507D+00  0.132752D+01 -0.439139D+01 -0.350588D+01  0.297154D+01
      2  -0.574560D+01  0.519603D+01  0.127434D+02  0.177196D+01 -0.127516D+01
      3   0.398877D+01 -0.433679D+01 -0.603243D+01  0.922308D+01 -0.851901D+01
               111           112           113           114           115 
      1  -0.149183D+01  0.227655D+01 -0.224108D+01  0.150706D+00 -0.232635D+01
      2   0.522388D+01 -0.239520D+01  0.794105D+00 -0.314943D+01  0.146932D+01
      3   0.453409D+01 -0.592160D+01  0.699725D+01 -0.259558D+01  0.465208D+01
               116           117           118           119           120 
      1   0.207214D+01 -0.147575D+01  0.181635D+01  0.246929D+01 -0.206726D+01
      2  -0.520420D+00  0.476714D+01 -0.227845D+01 -0.342060D+01  0.312152D+01
      3  -0.310792D+01  0.250473D+01 -0.176890D+01 -0.578540D+01  0.200526D+01
               121           122           123           124           125 
      1   0.289341D+01  0.433876D+01 -0.513792D+01 -0.150706D+01 -0.188655D+01
      2  -0.335102D+01 -0.485842D+01  0.562320D+01  0.103462D+01  0.433653D+01
      3  -0.321448D+01 -0.127991D+02  0.295727D+01  0.182908D+01  0.565763D+01
               126           127           128           129           130 
      1   0.335461D+01 -0.272260D+01 -0.297743D+01 -0.178446D+00 -0.274108D+01
      2  -0.456082D+01  0.167708D+01  0.244512D+01  0.183590D+01  0.696338D+00
      3  -0.346687D+01  0.465762D+01  0.722656D+01  0.342287D+01  0.127435D+02
               131           132           133           134           135 
      1  -0.798198D+01  0.213299D+01  0.104442D+01  0.103620D+02  0.134381D+02
      2   0.245746D+01 -0.472346D+00 -0.412160D+01 -0.177031D+01 -0.383323D+01
      3  -0.563590D+01 -0.564509D+00  0.306342D+01 -0.117395D+01  0.992413D+00
               136           137           138           139           140 
      1   0.397138D+01  0.399888D-01  0.125822D+01 -0.808314D+00  0.442506D+01
      2   0.171269D+01 -0.200204D+01  0.204757D+01 -0.166884D+01  0.388837D+01
      3  -0.877250D+01 -0.644260D+01 -0.359251D+01 -0.250344D+00  0.881027D+01
               141           142           143           144           145 
      1  -0.508182D+01  0.784053D+00  0.113944D+01 -0.108963D+02  0.183919D+01
      2  -0.246887D+01 -0.295672D+01 -0.270591D+01 -0.518083D+01 -0.249359D+00
      3  -0.236132D+01 -0.351840D+01 -0.386267D+01  0.170840D+01  0.189736D+01
               146           147           148           149           150 
      1   0.161972D+01 -0.132901D+01  0.141442D+01  0.601491D+01 -0.619680D+01
      2  -0.960742D+00  0.112381D+01  0.405412D-01 -0.206011D+01  0.156626D+01
      3   0.136447D+00 -0.127346D+01  0.539909D+01 -0.248824D+01  0.286663D+00
               151           152           153           154           155 
      1  -0.108871D+01 -0.405934D+01  0.198633D+01 -0.180459D+01  0.163279D+00
      2  -0.933309D+00  0.144916D+01 -0.397965D+00  0.530465D+00 -0.473756D-01
      3  -0.341349D+01  0.104288D+01 -0.226642D+00 -0.108689D+01 -0.142602D+01
               156           157           158           159           160 
      1   0.508401D+00  0.134963D+00 -0.178605D+01 -0.302030D+01 -0.539426D+00
      2   0.882268D+00 -0.425307D+00  0.678076D+00  0.871022D+00 -0.302989D+01
      3   0.163153D+01  0.256754D+00  0.556962D-01 -0.669092D+00  0.428133D+01
               161           162           163           164           165 
      1  -0.150333D+01 -0.163194D+02  0.117801D+01 -0.256982D-01 -0.923835D+00
      2   0.147924D+01  0.500154D+01  0.123953D+01  0.138362D+00  0.250536D+00
      3  -0.116248D+01 -0.603781D+00  0.115912D+01 -0.260120D+00 -0.118192D+01
               166           167           168           169           170 
      1   0.737828D+00  0.205481D+01  0.114737D+01  0.101316D+01  0.380051D+01
      2  -0.705078D+00 -0.143921D+00  0.137608D+01 -0.404080D+01 -0.260592D+00
      3   0.428659D+00 -0.165844D+01 -0.634039D+00 -0.311369D+01 -0.156894D+01
               171           172           173           174           175 
      1   0.116852D+02 -0.151719D+01  0.133836D+01  0.213760D+01  0.801896D+00
      2   0.719602D+01 -0.173724D+01  0.119272D+01  0.265540D+01  0.176028D+01
      3  -0.773548D+00 -0.564146D+01 -0.104227D+01  0.478997D+00  0.503325D+01
               176           177           178           179           180 
      1  -0.224511D+01 -0.289426D+01  0.137756D+01 -0.360199D+00  0.661313D+00
      2  -0.144193D+01 -0.160742D+01 -0.262720D+00 -0.479879D+00  0.146592D+00
      3   0.115189D+01  0.538019D+00  0.109960D+01  0.966757D+00 -0.661699D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.216597D+02 -0.143457D+02 -0.942368D+01 -0.887611D+00  0.308510D+01
      2   0.139122D+02  0.139482D+02  0.214383D+01  0.388311D+01  0.499402D+01
      3   0.774751D+01  0.397524D+00  0.727985D+01 -0.299550D+01 -0.807912D+01
      4  -0.129435D+02 -0.653212D+01 -0.584375D+01  0.490016D+01  0.766856D+01
      5  -0.112626D+02 -0.267298D+01 -0.119206D+02 -0.476150D+00 -0.309703D+01
      6  -0.340796D+01  0.175171D-02 -0.929432D+00 -0.204707D+00 -0.115041D+01
                 6             7             8             9            10 
      1  -0.140702D+01 -0.124924D+02 -0.414608D+01 -0.101674D+02  0.989637D+00
      2   0.501958D+00  0.196417D+01 -0.266731D+01  0.165371D+02 -0.863735D+01
      3   0.905065D+00  0.105282D+02  0.681340D+01 -0.636976D+01  0.764771D+01
      4  -0.478366D+01 -0.911036D+01 -0.366246D+01 -0.817875D+01  0.130838D+02
      5   0.105447D+00 -0.162494D+02 -0.488650D+01  0.164749D+02  0.526802D+01
      6   0.100532D+01 -0.538811D+01 -0.742615D+00  0.102390D+02 -0.131049D+01
                11            12            13            14            15 
      1  -0.958376D+00 -0.479244D+01 -0.238855D+01 -0.189326D+01  0.250891D+01
      2   0.923734D+01 -0.330387D+00  0.672125D+01 -0.134588D+02 -0.441815D+01
      3  -0.827897D+01  0.512282D+01 -0.433270D+01  0.153520D+02  0.190924D+01
      4  -0.165082D+02 -0.245360D+01 -0.260661D+02  0.190414D+02  0.993048D+01
      5  -0.156272D+01  0.309311D+00 -0.558477D+01  0.587451D+01  0.396719D+01
      6   0.601820D+01  0.117061D+00  0.258205D+01 -0.134194D+02 -0.968290D+01
                16            17            18            19            20 
      1   0.449363D+01  0.406565D+00  0.419395D+01 -0.545489D+01  0.537988D+01
      2   0.541104D+00 -0.901319D+01 -0.933670D+01  0.255945D+01 -0.452891D+01
      3  -0.503473D+01  0.860662D+01  0.514275D+01  0.289544D+01 -0.850974D+00
      4  -0.993624D+01  0.163133D+02  0.575386D+01 -0.618962D+01  0.544865D+01
      5   0.442949D+01  0.176595D+01  0.756650D+01 -0.568959D+01  0.163923D+01
      6   0.726696D+00 -0.321869D+01 -0.460874D+01 -0.328258D+01  0.233936D+01
                21            22            23            24            25 
      1   0.490861D+01  0.103151D+02  0.138118D+02  0.478101D+01  0.969645D-01
      2   0.563781D+01 -0.883484D+01 -0.187427D+02  0.994558D+01  0.359188D+01
      3  -0.105464D+02 -0.148031D+01  0.493090D+01 -0.147266D+02 -0.368885D+01
      4   0.520265D+00  0.580887D+01 -0.650386D+01  0.893641D+00  0.243611D+01
      5   0.296569D+01  0.320000D+01  0.253891D+01 -0.246084D+01  0.260498D+01
      6   0.129974D+01  0.384435D+01  0.129060D+02 -0.807397D-02 -0.457900D-01
                26            27            28            29            30 
      1   0.500622D+01  0.109455D+02 -0.816585D+00 -0.613452D+01  0.509755D+01
      2   0.645273D+01  0.960176D+01  0.287579D+01 -0.392781D+00 -0.434910D+01
      3  -0.114589D+02 -0.205472D+02 -0.205921D+01  0.652730D+01 -0.748451D+00
      4  -0.725484D+00 -0.291450D+01 -0.175861D+01 -0.213847D+01 -0.995744D+01
      5  -0.231972D+01 -0.854954D+01  0.754735D+01 -0.109556D+02 -0.161872D+02
      6   0.275234D+01  0.677261D+00 -0.490337D+01 -0.372117D+01  0.129962D+01
                31            32            33            34            35 
      1  -0.886748D+01  0.339995D+01 -0.123415D+02 -0.967800D+00 -0.113081D+02
      2   0.225218D+01 -0.924984D+00  0.556392D+01 -0.445627D+01  0.606880D+01
      3   0.661530D+01 -0.247496D+01  0.677762D+01  0.542407D+01  0.523930D+01
      4  -0.624212D+01  0.602339D+01 -0.181376D+01 -0.100974D+02 -0.623720D+01
      5  -0.161611D+02 -0.279262D+01  0.512620D+01 -0.139542D+02  0.449095D+01
      6  -0.193409D+01 -0.194588D+01 -0.495122D+01  0.136915D+01 -0.213177D+01
                36            37            38            39            40 
      1  -0.114541D+02  0.197632D+02 -0.699568D+01 -0.285147D+01 -0.412366D+01
      2   0.757391D+01  0.475423D-01 -0.755082D+01  0.166168D+01 -0.105621D+02
      3   0.388017D+01 -0.198107D+02  0.145465D+02  0.118979D+01  0.146858D+02
      4   0.353655D+01 -0.301724D+02  0.310079D+02  0.630329D+01  0.353430D+02
      5   0.188319D+02 -0.622929D+01  0.356726D+01  0.854578D+01  0.574525D+01
      6  -0.691002D+01  0.572634D+01 -0.385238D+01 -0.547491D+01 -0.544476D+01
                41            42            43            44            45 
      1  -0.123694D+02 -0.564605D+01 -0.790609D+00 -0.548295D+01 -0.648316D+01
      2   0.387107D+02  0.706953D+01  0.315050D-01  0.855173D+01  0.337235D+01
      3  -0.263413D+02 -0.142348D+01  0.759104D+00 -0.306878D+01  0.311081D+01
      4  -0.467872D+02 -0.108263D+02  0.105482D+02 -0.133434D+02 -0.143953D+02
      5  -0.701673D+01 -0.958920D+01  0.109480D+02 -0.116624D+02 -0.123237D+02
      6   0.164102D+02  0.169148D+02 -0.759541D+01  0.190169D+02  0.133190D+02
                46            47            48            49            50 
      1   0.895894D+01  0.291280D+01 -0.447902D+01 -0.304334D+00 -0.201354D+01
      2  -0.838724D+01 -0.243392D+01  0.517852D+01  0.110466D+01  0.261055D+00
      3  -0.571706D+00 -0.478882D+00 -0.699503D+00 -0.800331D+00  0.175248D+01
      4   0.540684D+01  0.461801D+01 -0.280256D+01  0.377537D+01  0.143903D+01
      5  -0.783152D+01 -0.157291D+01  0.108912D+02  0.545141D+00 -0.370774D+01
      6  -0.305910D+01 -0.135706D+01  0.224992D+01 -0.233964D+01 -0.201991D+01
                51            52            53            54            55 
      1   0.178378D+01 -0.709477D+01  0.251586D+01 -0.249559D+00  0.488102D+02
      2  -0.211157D+01  0.108054D+02 -0.221780D+00 -0.188086D+02 -0.271737D+02
      3   0.327790D+00 -0.371068D+01 -0.229408D+01  0.190581D+02 -0.216365D+02
      4  -0.422591D+01 -0.424249D+01 -0.646811D+01  0.750945D+01  0.212262D+02
      5   0.639735D+00  0.170569D+02  0.483157D+01 -0.288413D+02  0.154513D+02
      6   0.626074D+01  0.527698D+01  0.593824D+01 -0.124772D+02  0.333634D+01
                56            57            58            59            60 
      1   0.990981D+01  0.118184D+02  0.476343D+00  0.324773D+01  0.114393D+01
      2  -0.464629D+01 -0.705934D+01  0.164023D+01  0.356174D+00  0.330639D+00
      3  -0.526352D+01 -0.475906D+01 -0.211657D+01 -0.360391D+01 -0.147457D+01
      4   0.135498D+02  0.499292D+01  0.979932D+01  0.546029D+01  0.368820D+01
      5   0.290280D+01  0.116717D+02  0.145949D+01  0.398123D+01  0.140286D+01
      6   0.120725D+01  0.304207D+01  0.130697D+01  0.929545D+00  0.251433D+01
                61            62            63            64            65 
      1   0.188685D+02  0.347340D+01  0.893683D+01  0.141393D+01 -0.780037D+00
      2  -0.120191D+02 -0.253999D+00 -0.853532D+01 -0.526634D+01  0.411786D+00
      3  -0.684945D+01 -0.321940D+01 -0.401513D+00  0.385241D+01  0.368252D+00
      4   0.882846D+01  0.716194D+01  0.677826D+01  0.106278D+00  0.126694D+01
      5   0.150347D+02  0.531139D+01  0.965717D+01  0.472539D+01  0.793196D+00
      6   0.441575D+01  0.319177D+01  0.183962D+01  0.303814D+00  0.106067D+01
                66            67            68            69            70 
      1  -0.463900D+01 -0.954631D+00 -0.411746D+01 -0.497010D+01 -0.221707D+01
      2  -0.478109D+01  0.943897D+00 -0.765614D+00 -0.580602D+01 -0.251562D+01
      3   0.942010D+01  0.107340D-01  0.488308D+01  0.107761D+02  0.473268D+01
      4  -0.531455D+00 -0.852881D+00  0.161079D+01  0.104425D+01 -0.194592D+01
      5   0.824821D+01  0.140278D+01  0.103629D+01  0.155350D+01  0.622779D+01
      6  -0.254498D+01  0.532248D+00  0.936811D+00  0.340380D+01 -0.794123D+00
                71            72            73            74            75 
      1  -0.154447D+01 -0.235216D+02  0.468140D+00 -0.120378D+01  0.534019D+00
      2  -0.372435D+01 -0.195330D+02  0.256679D+01  0.220863D+01 -0.330108D+00
      3   0.526882D+01  0.430546D+02 -0.303493D+01 -0.100485D+01 -0.203911D+00
      4   0.869035D+00  0.958138D+00  0.437881D+01  0.815174D+01 -0.208445D+01
      5   0.795978D+00  0.760771D+01 -0.231961D+01 -0.341141D+01  0.325397D+01
      6   0.474919D+01 -0.675953D+01 -0.253098D+01 -0.312923D+01  0.215388D+01
                76            77            78            79            80 
      1  -0.224126D+01 -0.214208D+02  0.806789D+01 -0.536457D+00  0.268826D+01
      2   0.425424D+01  0.312399D+02 -0.644607D+01  0.156521D+00 -0.757772D+00
      3  -0.201298D+01 -0.981917D+01 -0.162183D+01  0.379936D+00 -0.193049D+01
      4   0.775163D+01  0.810367D+01 -0.214673D+01 -0.105238D+01 -0.104736D+01
      5  -0.248026D+01 -0.265265D+01  0.191012D+01  0.188224D+01  0.209446D+01
      6  -0.354834D+01 -0.203325D+02  0.118707D+02  0.150924D+01  0.821214D+01
                81            82            83            84            85 
      1  -0.554843D+01  0.147946D+02 -0.958048D+00 -0.791625D+01 -0.187232D+01
      2   0.155891D+01 -0.127715D+02  0.164858D+01  0.964236D+01  0.252113D+01
      3   0.398953D+01 -0.202306D+01 -0.690530D+00 -0.172612D+01 -0.648811D+00
      4   0.171476D+01 -0.373521D+01  0.629000D+01  0.528291D+01  0.628826D+01
      5  -0.765931D+00 -0.168833D+02  0.544767D+01  0.185893D+02  0.601863D+01
      6  -0.512858D+01  0.381319D+01 -0.145435D+01 -0.245507D+01 -0.321537D+01
                86            87            88            89            90 
      1  -0.717482D+00  0.128076D+01 -0.737422D+01  0.392431D+00  0.140307D+01
      2  -0.693945D-01 -0.256099D+01  0.108726D+02 -0.212149D+01 -0.160156D+02
      3   0.786877D+00  0.128024D+01 -0.349840D+01  0.172906D+01  0.146125D+02
      4  -0.495095D+01 -0.549382D+01  0.411364D+01 -0.470401D+01 -0.690771D+01
      5  -0.626088D+01 -0.701029D+01  0.187820D+02 -0.596741D+01 -0.276368D+02
      6   0.370403D+01  0.773482D+01 -0.406976D+01  0.541844D+01  0.655973D+01
                91            92            93            94            95 
      1  -0.154008D+02  0.955978D+01 -0.161428D+02  0.160451D+02 -0.936295D+01
      2   0.104217D+02 -0.123601D+02  0.985457D+01 -0.176010D+02 -0.100497D+01
      3   0.497913D+01  0.280029D+01  0.628827D+01  0.155591D+01  0.103679D+02
      4   0.906915D+01 -0.885351D+01  0.168394D+02 -0.114862D+02 -0.149442D+02
      5  -0.828107D+01  0.203433D+02  0.361667D+01  0.255911D+02  0.786997D+01
      6   0.547231D+01  0.730350D+01  0.771442D+01  0.757610D+01  0.583897D+01
                96            97            98            99           100 
      1   0.241569D+02 -0.125577D+02  0.226863D+02  0.111760D+02 -0.532791D+01
      2  -0.758780D+01  0.113318D+02 -0.572108D+01 -0.477866D+01  0.151005D+01
      3  -0.165691D+02  0.122587D+01 -0.169652D+02 -0.639737D+01  0.381787D+01
      4   0.115279D+02  0.214397D+02  0.141983D+02 -0.245146D+01 -0.348942D+01
      5  -0.182336D+01  0.127598D+01 -0.306385D+01 -0.630075D+01 -0.186503D-01
      6  -0.381370D+01  0.696405D+01 -0.455882D+01 -0.434710D+01  0.223853D+01
               101           102           103           104           105 
      1   0.345100D+01  0.997948D+01  0.307257D+01 -0.622722D+01 -0.930332D+01
      2  -0.213155D+01 -0.207083D+01 -0.749898D+00  0.567419D+01  0.372147D+01
      3  -0.131945D+01 -0.790865D+01 -0.232267D+01  0.553028D+00  0.558185D+01
      4  -0.882594D+00 -0.174014D+01  0.359119D+01  0.601630D+01  0.233306D+01
      5  -0.326963D+01 -0.380867D+01 -0.186394D+01  0.298976D+01  0.543549D+01
      6  -0.462064D+01 -0.584594D+01 -0.219152D+01  0.650384D+01  0.918741D+01
               106           107           108           109           110 
      1   0.109207D+02 -0.937814D+01 -0.170709D+02  0.497289D+02 -0.118398D+02
      2  -0.449060D+01  0.386292D+01 -0.122708D+01 -0.300874D+02  0.887457D+01
      3  -0.643014D+01  0.551522D+01  0.182980D+02 -0.196415D+02  0.296524D+01
      4   0.118774D+01  0.436167D+01  0.416889D+01 -0.637095D+01  0.114810D+02
      5   0.249523D+01  0.590107D+01  0.149665D+02  0.205719D+02 -0.645090D+01
      6  -0.245372D+01  0.982765D+01  0.149447D+02 -0.980268D+00  0.183595D+01
               111           112           113           114           115 
      1   0.138715D+02 -0.235384D+02  0.975777D+01 -0.785402D+01  0.152052D+02
      2  -0.114189D+02  0.152996D+02 -0.496591D+01  0.607482D+01 -0.122326D+02
      3  -0.245256D+01  0.823881D+01 -0.479186D+01  0.177920D+01 -0.297261D+01
      4  -0.335270D+01  0.107176D+02 -0.979399D+01  0.298668D+01 -0.346093D+01
      5   0.142951D+02 -0.119725D+02  0.486237D+01 -0.825069D+01  0.153078D+02
      6  -0.433394D+00  0.197858D+01 -0.356521D+01  0.236358D+01 -0.871811D+00
               116           117           118           119           120 
      1  -0.525328D+01  0.739283D+01  0.171601D+02  0.875439D+01 -0.278058D+01
      2   0.414292D+01 -0.851474D+01 -0.477252D+01  0.178799D+01 -0.388298D+00
      3   0.111035D+01  0.112191D+01 -0.123876D+02 -0.105424D+02  0.316888D+01
      4   0.260036D+01 -0.211239D+01  0.162486D+02  0.182759D+02 -0.665352D+01
      5  -0.416803D+01  0.124522D+02 -0.355152D+01 -0.562547D+01  0.607976D+01
      6   0.318607D+01  0.382205D+00 -0.235008D+01 -0.137021D+01  0.167551D+01
               121           122           123           124           125 
      1   0.114232D+02  0.512254D+01 -0.361700D+01 -0.839611D+01 -0.449157D+01
      2   0.257170D+01  0.144823D+02 -0.302306D+01  0.143345D+01 -0.377954D+01
      3  -0.139949D+02 -0.196048D+02  0.664007D+01  0.696265D+01  0.827112D+01
      4   0.238247D+02  0.337087D+02 -0.896100D+01 -0.123586D+02 -0.149847D+02
      5  -0.576147D+01 -0.773358D+01  0.862917D+01  0.700667D+01  0.870083D+01
      6  -0.227352D+01 -0.402081D+01  0.674097D+01  0.283114D+01  0.667183D+01
               126           127           128           129           130 
      1   0.618938D+00 -0.272560D+01  0.902471D+01 -0.151595D-01  0.124173D+02
      2   0.107902D+01  0.606234D+01 -0.138115D+02  0.298569D+01 -0.170781D+02
      3  -0.169795D+01 -0.333674D+01  0.478677D+01 -0.297053D+01  0.466074D+01
      4   0.870557D+01  0.367672D+01  0.500009D+00  0.538575D+01  0.222517D+01
      5  -0.915461D+01  0.211429D+01  0.147452D+01 -0.644191D+00 -0.928525D+00
      6  -0.571146D+01  0.645946D+01  0.337047D+01  0.876511D-01  0.449972D+01
               131           132           133           134           135 
      1   0.147821D+02 -0.483470D+01 -0.278871D+00 -0.402012D+01  0.146844D+02
      2  -0.280286D+02  0.115974D+02  0.339244D+01  0.167608D+02 -0.958726D+01
      3   0.132465D+02 -0.676273D+01 -0.311357D+01 -0.127407D+02 -0.509715D+01
      4  -0.164350D+02  0.564886D+01  0.490145D+01  0.669657D+01 -0.261924D+01
      5   0.415778D+01 -0.533770D+00  0.777830D+00 -0.298387D+01 -0.605480D+01
      6   0.137595D+02 -0.703201D+01 -0.959825D+00 -0.129693D+02 -0.261196D+02
               136           137           138           139           140 
      1   0.306884D+01  0.398980D+00  0.146315D+01 -0.362521D+01 -0.830350D+01
      2  -0.126306D+02  0.106089D+02 -0.302619D+01  0.141299D+02 -0.841237D+00
      3   0.956174D+01 -0.110079D+02  0.156303D+01 -0.105047D+02  0.914474D+01
      4   0.110476D+02 -0.207138D+02 -0.964346D+00 -0.188867D+02  0.135873D+02
      5   0.186268D+01  0.267505D+01  0.210661D+01  0.375883D+01 -0.636542D+00
      6  -0.324513D+01 -0.256032D+01 -0.206337D+01 -0.291443D+01 -0.380719D+01
               141           142           143           144           145 
      1   0.559351D+01  0.146943D+01  0.396265D+01  0.784800D+01 -0.886161D+00
      2  -0.137512D+01 -0.387661D+00 -0.539716D+01  0.111127D+02  0.671848D+01
      3  -0.421838D+01 -0.108177D+01  0.143451D+01 -0.189607D+02 -0.583232D+01
      4  -0.122328D+01 -0.579516D+00  0.319661D+01  0.140075D+00  0.822073D+01
      5  -0.306396D+01  0.268113D+01 -0.116109D+01 -0.899467D+01 -0.158165D+01
      6   0.548976D+01  0.122006D+00  0.401180D+01  0.161519D+02 -0.395339D+01
               146           147           148           149           150 
      1  -0.329167D+01  0.494015D-01 -0.477680D+01 -0.325181D+02  0.570059D+01
      2   0.101706D+02 -0.132670D+01  0.120987D+02  0.608719D+02 -0.104061D+02
      3  -0.687893D+01  0.127730D+01 -0.732188D+01 -0.283538D+02  0.470551D+01
      4   0.137635D+02 -0.341969D+01  0.124656D+02  0.232569D+02 -0.399204D+01
      5  -0.181309D+01  0.263061D+01 -0.152968D+01 -0.281499D+01  0.265615D+01
      6  -0.249349D+01  0.198893D+01 -0.274409D+01 -0.136839D+02  0.104560D+02
               151           152           153           154           155 
      1   0.108932D+01  0.106958D+02 -0.733339D+01  0.405210D+00 -0.208278D-01
      2  -0.323436D+01 -0.179514D+02  0.807852D+01 -0.235835D+01  0.715556D+00
      3   0.214504D+01  0.725557D+01 -0.745132D+00  0.195314D+01 -0.694729D+00
      4  -0.534653D+01 -0.742852D+01  0.415510D+01 -0.603480D+00  0.315484D+01
      5   0.252993D+01  0.359983D+01 -0.166362D+01  0.951271D+00  0.156704D+01
      6   0.310464D+01  0.138093D+02 -0.572077D+01  0.351034D+01 -0.870481D+00
               156           157           158           159           160 
      1   0.141147D+01 -0.136148D+01 -0.739749D+01 -0.539781D+01  0.132945D+01
      2  -0.144636D+01  0.204017D+01  0.876859D+01  0.392834D+01 -0.106411D+01
      3   0.348953D-01 -0.678689D+00 -0.137110D+01  0.146947D+01 -0.265347D+00
      4   0.360862D+01  0.207187D+01  0.278102D+01  0.989361D+00  0.537493D+01
      5   0.584241D+01  0.850302D+00  0.106955D+01  0.108697D+01  0.439210D+01
      6  -0.767885D+00  0.841625D-01  0.663264D+01  0.992520D+01  0.202071D+01
               161           162           163           164           165 
      1  -0.100205D+02 -0.192381D+02 -0.143371D+01 -0.599626D+00  0.165341D+01
      2   0.729042D+01  0.836966D+00 -0.464824D+00 -0.947278D+00  0.158215D+00
      3   0.273010D+01  0.184011D+02  0.189854D+01  0.154690D+01 -0.181163D+01
      4   0.238302D+01  0.345463D+01 -0.210470D+00  0.384308D+01 -0.113033D+01
      5   0.321093D+01  0.848401D+01  0.819357D+00 -0.125940D+00  0.490766D+01
      6   0.168785D+02  0.335480D+02 -0.107412D+01  0.328415D+00  0.223280D+01
               166           167           168           169           170 
      1   0.109176D+01 -0.590063D+00 -0.511549D+00  0.198814D+01  0.371017D+01
      2  -0.272066D+01 -0.928958D+00 -0.376605D+01 -0.262133D+01 -0.381820D+01
      3   0.162890D+01  0.151902D+01  0.427760D+01  0.633186D+00  0.108025D+00
      4   0.301741D+01 -0.111212D+01  0.119542D+01 -0.287998D+01  0.267582D+01
      5   0.304524D+00  0.105228D+01  0.298255D+01  0.531226D+01 -0.682490D+00
      6   0.283259D+00 -0.962301D+00  0.250127D+01 -0.176396D+01  0.532125D+01
               171           172           173           174           175 
      1  -0.148063D+02  0.108218D+02 -0.181174D+01 -0.336890D+00 -0.125421D+00
      2  -0.149839D+02  0.453642D+01 -0.110348D+02  0.559805D+00 -0.114626D+02
      3   0.297901D+02 -0.153582D+02  0.128466D+02 -0.222915D+00  0.115880D+02
      4  -0.261760D+01 -0.266525D+02  0.250698D+02 -0.129142D+01  0.239623D+02
      5   0.118054D+02  0.239442D+01 -0.224162D+01  0.439015D+01 -0.211769D+01
      6  -0.182852D+02 -0.762864D+00  0.196375D+01 -0.334664D+01  0.218025D+01
               176           177           178           179           180 
      1  -0.680409D+01  0.394019D+00 -0.146030D+01 -0.364238D+00 -0.184894D+01
      2   0.254290D+02 -0.289054D+00  0.195869D+00  0.182504D+01  0.104720D+01
      3  -0.186249D+02 -0.104965D+00  0.126443D+01 -0.146080D+01  0.801745D+00
      4  -0.278314D+02  0.128590D+01  0.218009D+01 -0.185544D+01 -0.467833D+01
      5   0.128010D+01 -0.276325D+01  0.346708D+01 -0.346897D+01  0.496672D+00
      6  -0.200618D+01  0.490282D+01 -0.405919D+01  0.542830D+01 -0.885349D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 22:19:08 2021, MaxMem= 10737418240 cpu:           19052.4 elap:            1191.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.25649 -10.38353 -10.31200 -10.30306 -10.30197
 Alpha  occ. eigenvalues --  -10.29960 -10.29852 -10.28865  -1.14692  -0.94695
 Alpha  occ. eigenvalues --   -0.87653  -0.83270  -0.78905  -0.71687  -0.67972
 Alpha  occ. eigenvalues --   -0.61013  -0.58713  -0.56219  -0.54836  -0.52293
 Alpha  occ. eigenvalues --   -0.50536  -0.49775  -0.49114  -0.47722  -0.45321
 Alpha  occ. eigenvalues --   -0.44615  -0.43548  -0.40991  -0.40592  -0.39986
 Alpha  occ. eigenvalues --   -0.32365
 Alpha virt. eigenvalues --    0.03017   0.04101   0.04275   0.05018   0.05885
 Alpha virt. eigenvalues --    0.06404   0.06481   0.06787   0.07128   0.07672
 Alpha virt. eigenvalues --    0.09212   0.09248   0.09436   0.11179   0.12680
 Alpha virt. eigenvalues --    0.13115   0.13520   0.13983   0.14427   0.14719
 Alpha virt. eigenvalues --    0.15155   0.15766   0.16028   0.16690   0.16900
 Alpha virt. eigenvalues --    0.17063   0.17525   0.17777   0.18364   0.19013
 Alpha virt. eigenvalues --    0.19542   0.19971   0.20063   0.20691   0.21039
 Alpha virt. eigenvalues --    0.21582   0.22586   0.23292   0.24322   0.24433
 Alpha virt. eigenvalues --    0.25145   0.26031   0.27832   0.27888   0.29032
 Alpha virt. eigenvalues --    0.29525   0.29819   0.30084   0.31555   0.33072
 Alpha virt. eigenvalues --    0.33560   0.33965   0.34431   0.35097   0.35779
 Alpha virt. eigenvalues --    0.36499   0.37052   0.37654   0.38596   0.39202
 Alpha virt. eigenvalues --    0.39699   0.40501   0.41194   0.42142   0.42940
 Alpha virt. eigenvalues --    0.42945   0.43694   0.44108   0.44414   0.45393
 Alpha virt. eigenvalues --    0.45588   0.46058   0.46515   0.47153   0.48388
 Alpha virt. eigenvalues --    0.49231   0.50331   0.50741   0.50995   0.52514
 Alpha virt. eigenvalues --    0.53190   0.53920   0.54696   0.55183   0.55883
 Alpha virt. eigenvalues --    0.56089   0.57228   0.58299   0.58890   0.59876
 Alpha virt. eigenvalues --    0.60262   0.60955   0.62694   0.63775   0.64575
 Alpha virt. eigenvalues --    0.64821   0.65375   0.66022   0.66789   0.67658
 Alpha virt. eigenvalues --    0.68432   0.70498   0.70764   0.71053   0.71675
 Alpha virt. eigenvalues --    0.72036   0.73096   0.73459   0.75142   0.75716
 Alpha virt. eigenvalues --    0.76551   0.77072   0.77487   0.78006   0.78250
 Alpha virt. eigenvalues --    0.79420   0.80176   0.81234   0.81496   0.82581
 Alpha virt. eigenvalues --    0.83725   0.84272   0.85753   0.86326   0.87171
 Alpha virt. eigenvalues --    0.88034   0.88407   0.89217   0.90918   0.91488
 Alpha virt. eigenvalues --    0.92329   0.93743   0.94943   0.96044   0.97318
 Alpha virt. eigenvalues --    0.99255   1.00604   1.01230   1.04502   1.06231
 Alpha virt. eigenvalues --    1.06410   1.09197   1.11171   1.11665   1.13429
 Alpha virt. eigenvalues --    1.16791   1.17250   1.17494   1.19195   1.20964
 Alpha virt. eigenvalues --    1.23668   1.24089   1.26603   1.27542   1.28903
 Alpha virt. eigenvalues --    1.29802   1.32202   1.34788   1.35234   1.36599
 Alpha virt. eigenvalues --    1.41132   1.41799   1.42662   1.43789   1.46214
 Alpha virt. eigenvalues --    1.49405   1.52648   1.54427   1.55698   1.57506
 Alpha virt. eigenvalues --    1.61289   1.62616   1.63798   1.65749   1.66420
 Alpha virt. eigenvalues --    1.67301   1.69731   1.70765   1.71469   1.73619
 Alpha virt. eigenvalues --    1.74090   1.77140   1.78290   1.78957   1.80894
 Alpha virt. eigenvalues --    1.82209   1.84757   1.86008   1.86301   1.88192
 Alpha virt. eigenvalues --    1.89067   1.91374   1.91652   1.93082   1.95429
 Alpha virt. eigenvalues --    1.96849   1.98196   1.99581   2.01263   2.02305
 Alpha virt. eigenvalues --    2.03104   2.04001   2.06153   2.06691   2.09423
 Alpha virt. eigenvalues --    2.10148   2.12250   2.14356   2.16083   2.17443
 Alpha virt. eigenvalues --    2.18614   2.20819   2.22909   2.24274   2.25331
 Alpha virt. eigenvalues --    2.26443   2.27892   2.30202   2.33131   2.33929
 Alpha virt. eigenvalues --    2.37048   2.37801   2.40150   2.41810   2.42685
 Alpha virt. eigenvalues --    2.45091   2.47653   2.49393   2.52444   2.55041
 Alpha virt. eigenvalues --    2.56752   2.57445   2.61697   2.62204   2.63739
 Alpha virt. eigenvalues --    2.64628   2.67619   2.69298   2.73339   2.74696
 Alpha virt. eigenvalues --    2.79148   2.79466   2.84364   2.86974   2.88181
 Alpha virt. eigenvalues --    2.93759   2.96929   2.97275   3.00096   3.02683
 Alpha virt. eigenvalues --    3.11810   3.18662   3.23752   3.50782   3.54307
 Alpha virt. eigenvalues --    3.55779   3.58555   3.66528   3.72828   3.89369
 Alpha virt. eigenvalues --    4.31971
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.497332   0.023651  -0.250030  -0.247518  -0.117409  -0.059762
     2  C    0.023651   6.626412  -0.341728  -0.415253   0.161409   0.015535
     3  C   -0.250030  -0.341728   6.845188  -0.512667   0.039016   0.131939
     4  C   -0.247518  -0.415253  -0.512667   8.903424   0.084712  -0.079961
     5  O   -0.117409   0.161409   0.039016   0.084712   8.498478   0.018318
     6  H   -0.059762   0.015535   0.131939  -0.079961   0.018318   1.490770
     7  H    0.120314  -0.019416  -0.062015   0.039892   0.013632  -0.286102
     8  H   -0.148184  -0.356087   0.262455   0.608815   0.019028   0.016431
     9  H    0.161856   0.324712  -0.680513  -0.317209  -0.048661  -0.000510
    10  H    0.046281   0.095122   0.369163  -1.409461   0.000462  -0.011828
    11  C    0.045368   0.022929  -0.154703   0.158130  -0.011101   0.019368
    12  H   -0.001397  -0.036856  -0.046465  -0.109033   0.004763   0.001178
    13  H   -0.010807   0.004067  -0.081445   0.237095  -0.001210   0.000380
    14  H    0.003053   0.072192   0.084436  -0.049810  -0.004449   0.000908
    15  C    0.298631  -0.110663  -0.643124   0.030567  -0.032270  -0.034067
    16  C   -0.200127  -0.056791  -0.152191  -0.911577  -0.025652   0.030528
    17  H    0.094734   0.065931   0.035158   0.029528  -0.006203  -0.140352
    18  H    0.142640  -0.136117   0.117506  -0.089039   0.009624   0.078228
    19  H    0.080836  -0.069487   0.069121  -0.204752   0.000565   0.005067
    20  H    0.031407   0.004318   0.021435   0.381183   0.000268   0.015459
               7          8          9         10         11         12
     1  C    0.120314  -0.148184   0.161856   0.046281   0.045368  -0.001397
     2  C   -0.019416  -0.356087   0.324712   0.095122   0.022929  -0.036856
     3  C   -0.062015   0.262455  -0.680513   0.369163  -0.154703  -0.046465
     4  C    0.039892   0.608815  -0.317209  -1.409461   0.158130  -0.109033
     5  O    0.013632   0.019028  -0.048661   0.000462  -0.011101   0.004763
     6  H   -0.286102   0.016431  -0.000510  -0.011828   0.019368   0.001178
     7  H    1.419225  -0.035818   0.013881   0.015818  -0.009799   0.000154
     8  H   -0.035818   1.643821  -0.523109  -0.268687  -0.019043   0.006200
     9  H    0.013881  -0.523109   2.290924   0.119214   0.049806  -0.037293
    10  H    0.015818  -0.268687   0.119214   2.509047  -0.127524   0.063640
    11  C   -0.009799  -0.019043   0.049806  -0.127524   4.848710   0.437922
    12  H    0.000154   0.006200  -0.037293   0.063640   0.437922   1.569549
    13  H   -0.000856  -0.016622   0.027940  -0.015926   0.091612  -0.308154
    14  H   -0.000374   0.031011  -0.028122  -0.107624   0.206680  -0.342009
    15  C    0.106768   0.042652   0.022519  -0.098576  -0.036769   0.006402
    16  C   -0.003128  -0.043052   0.056780   0.385890  -0.212830  -0.071074
    17  H   -0.007869   0.008645  -0.000179   0.007817  -0.001473   0.000229
    18  H   -0.131556   0.004396   0.008061   0.012235   0.014798  -0.001017
    19  H    0.012938  -0.031498   0.024477   0.139822  -0.116342  -0.024755
    20  H   -0.002806   0.019035  -0.007149  -0.210387   0.115626  -0.001638
              13         14         15         16         17         18
     1  C   -0.010807   0.003053   0.298631  -0.200127   0.094734   0.142640
     2  C    0.004067   0.072192  -0.110663  -0.056791   0.065931  -0.136117
     3  C   -0.081445   0.084436  -0.643124  -0.152191   0.035158   0.117506
     4  C    0.237095  -0.049810   0.030567  -0.911577   0.029528  -0.089039
     5  O   -0.001210  -0.004449  -0.032270  -0.025652  -0.006203   0.009624
     6  H    0.000380   0.000908  -0.034067   0.030528  -0.140352   0.078228
     7  H   -0.000856  -0.000374   0.106768  -0.003128  -0.007869  -0.131556
     8  H   -0.016622   0.031011   0.042652  -0.043052   0.008645   0.004396
     9  H    0.027940  -0.028122   0.022519   0.056780  -0.000179   0.008061
    10  H   -0.015926  -0.107624  -0.098576   0.385890   0.007817   0.012235
    11  C    0.091612   0.206680  -0.036769  -0.212830  -0.001473   0.014798
    12  H   -0.308154  -0.342009   0.006402  -0.071074   0.000229  -0.001017
    13  H    1.622788  -0.387160   0.014905   0.035969  -0.001415   0.004477
    14  H   -0.387160   1.770802  -0.007540  -0.027873   0.001820  -0.003922
    15  C    0.014905  -0.007540   5.554264   0.575568  -0.203910  -0.106944
    16  C    0.035969  -0.027873   0.575568   6.059375   0.130496  -0.107483
    17  H   -0.001415   0.001820  -0.203910   0.130496   1.810180  -0.361306
    18  H    0.004477  -0.003922  -0.106944  -0.107483  -0.361306   1.814705
    19  H   -0.039367   0.001429  -0.259235  -0.139359  -0.082494   0.136386
    20  H   -0.002354   0.014806  -0.029121  -0.387770  -0.085440  -0.099395
              19         20
     1  C    0.080836   0.031407
     2  C   -0.069487   0.004318
     3  C    0.069121   0.021435
     4  C   -0.204752   0.381183
     5  O    0.000565   0.000268
     6  H    0.005067   0.015459
     7  H    0.012938  -0.002806
     8  H   -0.031498   0.019035
     9  H    0.024477  -0.007149
    10  H    0.139822  -0.210387
    11  C   -0.116342   0.115626
    12  H   -0.024755  -0.001638
    13  H   -0.039367  -0.002354
    14  H    0.001429   0.014806
    15  C   -0.259235  -0.029121
    16  C   -0.139359  -0.387770
    17  H   -0.082494  -0.085440
    18  H    0.136386  -0.099395
    19  H    2.362663  -0.448610
    20  H   -0.448610   2.041519
 Mulliken charges:
               1
     1  C    0.489130
     2  C    0.126120
     3  C    0.949464
     4  C   -0.127066
     5  O   -0.603320
     6  H   -0.211528
     7  H   -0.182883
     8  H   -0.220389
     9  H   -0.457424
    10  H   -0.514499
    11  C    0.678635
    12  H   -0.110349
    13  H   -0.173917
    14  H   -0.228254
    15  C    0.909944
    16  C    1.064300
    17  H   -0.293896
    18  H   -0.306278
    19  H   -0.417404
    20  H   -0.370385
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.094718
     2  C    0.126120
     3  C    0.271651
     4  C   -0.641565
     5  O   -0.603320
    11  C    0.166115
    15  C    0.309769
    16  C    0.276511
 Electronic spatial extent (au):  <R**2>=            980.9191
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.6801    Y=              2.7237    Z=              1.2242  Tot=              3.4264
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -52.3811   YY=            -54.5276   ZZ=            -49.0871
   XY=              5.5388   XZ=              1.5587   YZ=             -2.1755
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.3825   YY=             -2.5290   ZZ=              2.9115
   XY=              5.5388   XZ=              1.5587   YZ=             -2.1755
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.3075  YYY=              6.4200  ZZZ=              0.2137  XYY=             -8.7105
  XXY=              9.3291  XXZ=              4.2510  XZZ=              2.3949  YZZ=             -0.5430
  YYZ=              2.9674  XYZ=             -3.0874
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -667.9843 YYYY=           -500.2075 ZZZZ=           -165.0332 XXXY=              7.6019
 XXXZ=              5.7269 YYYX=             12.0098 YYYZ=             -7.8029 ZZZX=             -3.6888
 ZZZY=              2.6818 XXYY=           -205.2615 XXZZ=           -139.2142 YYZZ=           -110.2847
 XXYZ=             -6.7133 YYXZ=              1.3289 ZZXY=             -0.1906
 N-N= 3.912778717806D+02 E-N=-1.593868860455D+03  KE= 3.469102189343D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 22:19:09 2021, MaxMem= 10737418240 cpu:               5.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.35028629D-01 1.03621147D+00 4.65101343D-01
 Polarizability= 8.71451293D+01 7.37019006D-01 8.56738357D+01
                -1.69420051D+00 4.74103926D-01 7.18484302D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.9698    0.9714        0.1697    0.1693
 2     -0.9698   -0.9714       -0.3540   -0.3539       -0.6081   -0.6080
 3     -0.1697   -0.1693        8.1169    8.1125        0.3541    0.3539
 4      0.3540    0.3539        0.0000    0.0000       -0.1691   -0.1693
 5     -7.5088   -7.5045        0.1691    0.1693        0.9712    0.9714
 6     -0.3541   -0.3539       -0.9712   -0.9714       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.9142   -2.9142        0.5080    0.5080
 2      1.0617    1.0617        0.0000    0.0000        0.5080    0.5080
 3      1.0617    1.0617       -2.9142   -2.9142       -0.0000    0.0000
 4     -2.9142   -2.9142       -1.0617   -1.0617       -1.8239   -1.8239
 5     -0.5080   -0.5080       24.3375   24.3375        1.0617    1.0617
 6    -22.5136  -22.5136        0.5080    0.5080        2.9142    2.9142
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0519    0.0000       -4.0489   -3.8856       -0.7452   -0.6773
 2      3.9730    3.8856        1.5968    1.4155        2.4670    2.4319
 3      0.8716    0.6773      -32.4786  -32.4500       -1.4139   -1.4155
 4     -1.5876   -1.4155       -0.0596    0.0000        0.6446    0.6773
 5     30.0247   30.0181       -0.8705   -0.6773       -3.8563   -3.8856
 6      1.3893    1.4155        3.7524    3.8856       -0.0145    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0179    0.0000        8.2546    8.0427       11.4143   11.4268
 2     -8.0598   -8.0427       -5.6421   -5.5379      -17.2106  -17.7908
 3    -11.6424  -11.4268       10.0733   10.5131        5.6875    5.5379
 4      5.0751    5.5379       -0.3680    0.0000      -11.5941  -11.4268
 5      7.5249    7.2777       11.6608   11.4268        8.2086    8.0427
 6     -5.3353   -5.5379       -8.0605   -8.0427       -0.0247    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      8.8130    8.9073        9.1855    9.4927      -13.5791  -13.4671
 2     20.0947   20.3619       13.7233   13.8743      -13.5407  -13.4671
 3     20.1319   20.3619        9.3038    9.4927      -23.1847  -23.2265
 4     -4.4147   -4.3815      -11.3159  -11.4545      -16.1653  -16.1946
 5     -9.7052   -9.7594        8.5798    8.6585       11.9163   11.4545
 6      7.6707    7.5361       10.0221    9.7594        4.5433    4.3815
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.5210   -6.3633   -0.0007   -0.0006   -0.0003    6.6701
 Low frequencies ---   59.2935   73.3413  253.6374
 Diagonal vibrational polarizability:
       13.0453635       4.3436223      16.4340118
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     59.2811                73.3276               253.6373
 Red. masses --      2.3724                 4.1820                 1.1158
 Frc consts  --      0.0049                 0.0132                 0.0423
 IR Inten    --      1.0780                 3.5435                 0.1521
 RamAct Fr= 1--      0.3711                 1.1149                 0.0899
  Dep-P Fr= 1--      0.6909                 0.6970                 0.4018
  Dep-U Fr= 1--      0.8172                 0.8214                 0.5732
 Alpha2 Fr= 1--      0.0004                 0.0010                 0.0007
 Beta2  Fr= 1--      0.0505                 0.1526                 0.0086
 AlphaG Fr= 1--     -0.0037                 0.0029                -0.0044
 Gamma2 Fr= 1--     -0.1707                 0.0734                 0.0093
 Delta2 Fr= 1--     -0.0164                -0.0656                -0.0018
 Raman1 Fr= 1--       1.485                  4.460                  0.360
 ROA1   Fr= 1--     -16.912                  4.942                  0.836
 CID1   Fr= 1--     -11.393                  1.108                  2.324
 Raman2 Fr= 1--       0.607                  1.832                  0.103
 ROA2   Fr= 1--      -3.966                  2.286                  0.237
 CID2   Fr= 1--      -6.539                  1.248                  2.303
 Raman3 Fr= 1--       1.213                  3.663                  0.206
 ROA3   Fr= 1--     -16.912                  4.942                  0.836
 CID3   Fr= 1--     -13.941                  1.349                  4.054
 RC180  Fr= 1--       0.634                  0.643                  0.146
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.03   0.17    -0.04   0.00  -0.09     0.02  -0.01   0.04
     2   6     0.02   0.02   0.00     0.06  -0.02  -0.03     0.01  -0.01   0.01
     3   6    -0.00  -0.04  -0.04    -0.04  -0.11  -0.17     0.01  -0.00   0.00
     4   6     0.01   0.01  -0.01    -0.03   0.01  -0.01    -0.00  -0.01   0.01
     5   8    -0.00   0.06  -0.10     0.28  -0.01   0.19    -0.00  -0.01   0.00
     6   1     0.32   0.08   0.25    -0.17  -0.00  -0.13     0.15  -0.03   0.08
     7   1    -0.07   0.01   0.40     0.04   0.03  -0.22    -0.04  -0.01   0.15
     8   1    -0.03  -0.11  -0.00    -0.05  -0.31  -0.09     0.00   0.02  -0.00
     9   1    -0.01  -0.05  -0.12    -0.06  -0.13  -0.35     0.01  -0.00   0.02
    10   1     0.10   0.13   0.00     0.09   0.01   0.07    -0.01  -0.05   0.02
    11   6    -0.13   0.01   0.13    -0.21   0.14   0.06    -0.01   0.02  -0.02
    12   1    -0.22  -0.11   0.12    -0.36   0.16  -0.05    -0.13   0.46  -0.31
    13   1    -0.11   0.05   0.14    -0.22   0.24   0.21    -0.29  -0.08   0.42
    14   1    -0.16   0.10   0.23    -0.21   0.14   0.06     0.38  -0.29  -0.18
    15   6    -0.02   0.01  -0.02    -0.01  -0.02   0.01     0.00   0.01  -0.07
    16   6     0.06  -0.10  -0.14    -0.03   0.01   0.02    -0.03   0.01   0.02
    17   1    -0.01  -0.01  -0.04    -0.02   0.01   0.06    -0.00  -0.04  -0.18
    18   1    -0.16   0.07  -0.03     0.02  -0.10   0.02     0.03   0.14  -0.09
    19   1     0.21  -0.25  -0.10    -0.05   0.04   0.01    -0.10   0.03   0.01
    20   1     0.02  -0.11  -0.35    -0.02   0.02   0.05    -0.01   0.02   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    277.1194               338.0060               379.7991
 Red. masses --      1.5648                 2.2608                 1.9775
 Frc consts  --      0.0708                 0.1522                 0.1681
 IR Inten    --      0.1971                 0.3528                 0.7763
 RamAct Fr= 1--      0.0622                 0.7927                 0.8278
  Dep-P Fr= 1--      0.2840                 0.5490                 0.2377
  Dep-U Fr= 1--      0.4424                 0.7088                 0.3841
 Alpha2 Fr= 1--      0.0007                 0.0030                 0.0102
 Beta2  Fr= 1--      0.0046                 0.0936                 0.0530
 AlphaG Fr= 1--     -0.0012                 0.0080                -0.0043
 Gamma2 Fr= 1--      0.0331                 0.1386                -0.2147
 Delta2 Fr= 1--      0.0298                 0.0154                 0.0871
 Raman1 Fr= 1--       0.249                  3.171                  3.311
 ROA1   Fr= 1--       4.137                 13.797                -17.829
 CID1   Fr= 1--      16.628                  4.351                 -5.384
 Raman2 Fr= 1--       0.055                  1.124                  0.636
 ROA2   Fr= 1--       0.557                  3.203                 -5.850
 CID2   Fr= 1--      10.119                  2.850                 -9.199
 Raman3 Fr= 1--       0.110                  2.248                  1.272
 ROA3   Fr= 1--       4.137                 13.797                -17.829
 CID3   Fr= 1--      37.585                  6.139                -14.017
 RC180  Fr= 1--      -0.115                  0.418                 -0.232
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.05    -0.05   0.03  -0.05     0.08   0.00   0.01
     2   6    -0.00   0.02  -0.01     0.01   0.02   0.08     0.07   0.00  -0.03
     3   6     0.00   0.07   0.00     0.05  -0.05   0.13     0.09   0.14   0.03
     4   6     0.00   0.03  -0.06     0.04  -0.08   0.07    -0.04  -0.07  -0.05
     5   8    -0.03  -0.01   0.01    -0.03   0.05  -0.02     0.02  -0.04  -0.01
     6   1    -0.22   0.07  -0.11    -0.25  -0.05  -0.11     0.20   0.07   0.05
     7   1     0.09   0.01  -0.22     0.06   0.10  -0.24     0.00   0.03   0.14
     8   1    -0.00   0.14  -0.02    -0.00  -0.02   0.13     0.11   0.52  -0.12
     9   1     0.01   0.07   0.07     0.10  -0.07   0.13     0.19   0.16   0.42
    10   1     0.01   0.09  -0.08     0.03  -0.04   0.05    -0.05  -0.13  -0.04
    11   6    -0.02  -0.05   0.03    -0.01   0.16  -0.09    -0.14   0.01  -0.06
    12   1    -0.13   0.16  -0.14    -0.04   0.30  -0.17    -0.24  -0.09  -0.07
    13   1    -0.24  -0.17   0.29     0.10   0.39   0.02    -0.03   0.17  -0.04
    14   1     0.28  -0.19   0.04    -0.16   0.09  -0.32    -0.31   0.10  -0.05
    15   6    -0.00  -0.05   0.14    -0.04   0.00  -0.01    -0.01  -0.07   0.02
    16   6     0.06  -0.01  -0.08     0.04  -0.15  -0.02    -0.05  -0.02   0.04
    17   1     0.03   0.07   0.40    -0.11   0.00  -0.05    -0.05  -0.04   0.07
    18   1    -0.09  -0.32   0.18    -0.03   0.02  -0.02    -0.00  -0.11   0.02
    19   1     0.24  -0.06  -0.06     0.18  -0.33   0.02    -0.14   0.10   0.01
    20   1     0.04  -0.01  -0.24    -0.05  -0.21  -0.25    -0.01   0.00   0.18
                      7                      8                      9
                      A                      A                      A
 Frequencies --    409.7323               465.3983               484.5947
 Red. masses --      3.2142                 2.9942                 3.5321
 Frc consts  --      0.3179                 0.3821                 0.4887
 IR Inten    --      1.3395                 4.5495                 7.5731
 RamAct Fr= 1--      1.4904                 0.6559                 0.9494
  Dep-P Fr= 1--      0.6802                 0.2242                 0.7483
  Dep-U Fr= 1--      0.8097                 0.3663                 0.8560
 Alpha2 Fr= 1--      0.0018                 0.0083                 0.0000
 Beta2  Fr= 1--      0.2011                 0.0400                 0.1355
 AlphaG Fr= 1--     -0.0050                -0.0261                -0.0014
 Gamma2 Fr= 1--      0.0557                 0.3050                -0.6278
 Delta2 Fr= 1--     -0.1984                 0.0472                 0.1280
 Raman1 Fr= 1--       5.962                  2.624                  3.798
 ROA1   Fr= 1--      -1.000                 30.796                -56.171
 CID1   Fr= 1--      -0.168                 11.737                -14.791
 Raman2 Fr= 1--       2.413                  0.481                  1.625
 ROA2   Fr= 1--       2.925                  6.943                -16.090
 CID2   Fr= 1--       1.212                 14.447                 -9.899
 Raman3 Fr= 1--       4.827                  0.961                  3.251
 ROA3   Fr= 1--      -1.000                 30.796                -56.171
 CID3   Fr= 1--      -0.207                 32.040                -17.279
 RC180  Fr= 1--       0.619                 -0.267                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14   0.05  -0.06    -0.11  -0.06   0.05    -0.07  -0.14   0.02
     2   6     0.02   0.13   0.11     0.06  -0.09   0.18    -0.12  -0.05  -0.03
     3   6    -0.07  -0.04   0.00     0.05  -0.08   0.12    -0.12   0.05   0.09
     4   6    -0.07  -0.10  -0.06     0.13  -0.01  -0.16    -0.13   0.04   0.05
     5   8    -0.10   0.12   0.02     0.04   0.03  -0.10     0.21   0.17  -0.11
     6   1    -0.09  -0.13  -0.14    -0.32  -0.22  -0.01    -0.09  -0.20   0.01
     7   1     0.27   0.09  -0.28     0.00   0.09  -0.17    -0.02  -0.31  -0.03
     8   1    -0.29  -0.18   0.12    -0.13   0.01   0.14     0.04   0.33  -0.07
     9   1     0.07  -0.11  -0.25    -0.07  -0.04   0.15    -0.18   0.11   0.46
    10   1    -0.12  -0.12  -0.08     0.13   0.02  -0.17    -0.19   0.07  -0.00
    11   6    -0.14  -0.13  -0.04    -0.05  -0.01   0.01    -0.03  -0.03  -0.01
    12   1    -0.23  -0.20  -0.06    -0.28  -0.17  -0.07     0.08   0.03   0.03
    13   1    -0.17  -0.14   0.01    -0.06   0.05   0.13    -0.08  -0.14  -0.07
    14   1    -0.11  -0.08   0.06    -0.04   0.10   0.19     0.05  -0.09  -0.04
    15   6     0.17   0.02  -0.03    -0.03   0.04  -0.01     0.10  -0.05  -0.00
    16   6     0.09  -0.03   0.09    -0.02   0.14  -0.07     0.07  -0.02   0.03
    17   1     0.04   0.00  -0.15     0.13  -0.00  -0.00     0.14  -0.13  -0.15
    18   1     0.30   0.11  -0.04    -0.10   0.05  -0.02     0.17   0.10  -0.03
    19   1     0.03   0.08   0.06    -0.16   0.43  -0.14     0.15  -0.16   0.06
    20   1     0.15   0.01   0.19    -0.05   0.08   0.26     0.13   0.06  -0.15
                     10                     11                     12
                      A                      A                      A
 Frequencies --    521.5544               618.6865               722.9925
 Red. masses --      2.5700                 2.4260                 2.7736
 Frc consts  --      0.4119                 0.5471                 0.8542
 IR Inten    --      0.9538                 0.7989                 1.5092
 RamAct Fr= 1--      1.3316                 5.2253                18.2380
  Dep-P Fr= 1--      0.3308                 0.0569                 0.0262
  Dep-U Fr= 1--      0.4971                 0.1076                 0.0510
 Alpha2 Fr= 1--      0.0124                 0.1015                 0.3812
 Beta2  Fr= 1--      0.1103                 0.0937                 0.1551
 AlphaG Fr= 1--      0.0250                -0.1581                 0.2320
 Gamma2 Fr= 1--      0.3779                -0.4386                -0.3263
 Delta2 Fr= 1--     -0.2804                -0.1362                -0.1575
 Raman1 Fr= 1--       5.326                 20.901                 72.952
 ROA1   Fr= 1--      27.307                -46.461                -36.362
 CID1   Fr= 1--       5.127                 -2.223                 -0.498
 Raman2 Fr= 1--       1.324                  1.125                  1.861
 ROA2   Fr= 1--      11.313                 -9.436                 -6.570
 CID2   Fr= 1--       8.545                 -8.390                 -3.531
 Raman3 Fr= 1--       2.648                  2.249                  3.721
 ROA3   Fr= 1--      27.307                -46.461                -36.362
 CID3   Fr= 1--      10.313                -20.656                 -9.771
 RC180  Fr= 1--      -0.006                 -0.785                 -0.898
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.05   0.03     0.06   0.03   0.06     0.05   0.10  -0.12
     2   6    -0.09  -0.05  -0.10     0.18  -0.09   0.08     0.02  -0.07  -0.04
     3   6     0.03  -0.03  -0.03    -0.02   0.05  -0.05    -0.02  -0.11   0.21
     4   6     0.07  -0.08  -0.05    -0.13   0.08   0.04    -0.08   0.01   0.07
     5   8    -0.01  -0.08   0.05     0.02  -0.12  -0.09     0.05  -0.08  -0.03
     6   1    -0.14   0.17   0.03    -0.36  -0.03  -0.06     0.42   0.20  -0.01
     7   1    -0.05  -0.15  -0.01     0.26   0.31  -0.34    -0.14   0.01   0.23
     8   1     0.16   0.22  -0.17    -0.07   0.04  -0.03    -0.03  -0.23   0.26
     9   1     0.07  -0.00   0.25    -0.11   0.07  -0.03    -0.06  -0.12   0.09
    10   1     0.05  -0.11  -0.05    -0.10   0.02   0.08    -0.15   0.09  -0.00
    11   6    -0.05  -0.05  -0.02    -0.03  -0.01  -0.01    -0.08  -0.05  -0.05
    12   1    -0.19  -0.14  -0.07     0.15   0.04   0.08     0.01   0.01  -0.02
    13   1    -0.05   0.01   0.07    -0.07  -0.16  -0.15    -0.08  -0.09  -0.11
    14   1    -0.06   0.02   0.07     0.04  -0.07  -0.04    -0.08  -0.11  -0.13
    15   6     0.04   0.23   0.07    -0.03   0.06   0.04     0.03   0.13  -0.02
    16   6     0.10  -0.00   0.06    -0.04   0.00   0.04     0.01   0.10  -0.05
    17   1     0.00   0.09  -0.26    -0.06  -0.06  -0.23     0.03   0.30   0.34
    18   1     0.13   0.52   0.02     0.01   0.35  -0.01     0.01  -0.26   0.04
    19   1     0.34  -0.04   0.08     0.14  -0.20   0.09     0.04   0.01  -0.03
    20   1    -0.06  -0.13  -0.14    -0.04   0.05  -0.27    -0.02   0.09  -0.14
                     13                     14                     15
                      A                      A                      A
 Frequencies --    801.0996               828.3444               883.2315
 Red. masses --      2.4096                 1.7213                 1.7372
 Frc consts  --      0.9111                 0.6959                 0.7984
 IR Inten    --      2.5253                 1.0839                 4.6868
 RamAct Fr= 1--      1.9173                 2.7131                 0.6615
  Dep-P Fr= 1--      0.4914                 0.2505                 0.6473
  Dep-U Fr= 1--      0.6590                 0.4006                 0.7859
 Alpha2 Fr= 1--      0.0099                 0.0321                 0.0012
 Beta2  Fr= 1--      0.2106                 0.1811                 0.0866
 AlphaG Fr= 1--      0.0129                -0.0313                -0.0205
 Gamma2 Fr= 1--      1.0976                 0.8421                -0.2580
 Delta2 Fr= 1--      0.1936                -0.6707                -0.1124
 Raman1 Fr= 1--       7.669                 10.853                  2.646
 ROA1   Fr= 1--     111.567                 59.381                -28.367
 CID1   Fr= 1--      14.548                  5.472                -10.720
 Raman2 Fr= 1--       2.527                  2.174                  1.040
 ROA2   Fr= 1--      24.794                 25.576                 -5.293
 CID2   Fr= 1--       9.812                 11.766                 -5.090
 Raman3 Fr= 1--       5.054                  4.347                  2.080
 ROA3   Fr= 1--     111.567                 59.381                -28.367
 CID3   Fr= 1--      22.076                 13.659                -13.641
 RC180  Fr= 1--       0.318                 -0.199                  0.572
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.13   0.02    -0.07  -0.03  -0.10    -0.05   0.07   0.04
     2   6     0.03   0.07   0.01     0.06   0.00   0.02    -0.00   0.02  -0.09
     3   6     0.21   0.03  -0.01    -0.01   0.07   0.05     0.04  -0.00   0.10
     4   6    -0.05   0.02   0.07     0.03   0.05  -0.09    -0.02   0.06   0.00
     5   8    -0.04   0.03   0.03     0.01  -0.01  -0.02     0.01  -0.03   0.01
     6   1    -0.02  -0.12   0.05     0.32   0.07   0.02    -0.20   0.34   0.02
     7   1    -0.12  -0.21   0.07    -0.30  -0.01   0.27     0.01   0.05  -0.06
     8   1     0.20  -0.23   0.09    -0.24  -0.16   0.20     0.10  -0.20   0.15
     9   1     0.35  -0.05  -0.33    -0.10   0.06  -0.25     0.06  -0.03  -0.11
    10   1     0.02  -0.06   0.14    -0.08  -0.03  -0.12    -0.02   0.27  -0.07
    11   6    -0.09  -0.07  -0.06     0.02   0.02  -0.02    -0.05  -0.01  -0.03
    12   1     0.02   0.02  -0.03    -0.16  -0.15  -0.06     0.06   0.02   0.03
    13   1    -0.05  -0.06  -0.13    -0.07  -0.04   0.07    -0.08  -0.12  -0.12
    14   1    -0.14  -0.13  -0.20     0.11   0.14   0.23     0.02  -0.06  -0.05
    15   6     0.03  -0.01   0.03    -0.05  -0.05   0.03    -0.03  -0.11   0.01
    16   6    -0.05   0.12  -0.04     0.01  -0.03   0.12     0.11  -0.04  -0.02
    17   1     0.30  -0.12  -0.05    -0.18  -0.11  -0.17    -0.10  -0.24  -0.29
    18   1     0.07   0.08   0.01     0.26   0.07   0.01    -0.16   0.25  -0.05
    19   1     0.17  -0.14   0.03     0.29  -0.12   0.15    -0.10   0.25  -0.09
    20   1    -0.04   0.17  -0.37    -0.05  -0.05  -0.16     0.33   0.11   0.34
                     16                     17                     18
                      A                      A                      A
 Frequencies --    912.1429               960.1166               976.4474
 Red. masses --      1.8120                 2.3242                 1.5111
 Frc consts  --      0.8883                 1.2623                 0.8489
 IR Inten    --      1.9760                 0.5660                 0.1330
 RamAct Fr= 1--      1.5920                 4.4914                 2.0593
  Dep-P Fr= 1--      0.2013                 0.5740                 0.6588
  Dep-U Fr= 1--      0.3351                 0.7293                 0.7943
 Alpha2 Fr= 1--      0.0215                 0.0149                 0.0034
 Beta2  Fr= 1--      0.0889                 0.5460                 0.2726
 AlphaG Fr= 1--      0.0219                 0.0124                 0.0107
 Gamma2 Fr= 1--     -0.9375                 0.4431                -0.0273
 Delta2 Fr= 1--     -0.3454                 0.0068                -1.1956
 Raman1 Fr= 1--       6.368                 17.966                  8.237
 ROA1   Fr= 1--    -101.053                 42.757                -40.878
 CID1   Fr= 1--     -15.868                  2.380                 -4.963
 Raman2 Fr= 1--       1.067                  6.552                  3.272
 ROA2   Fr= 1--     -19.737                 10.581                  8.910
 CID2   Fr= 1--     -18.498                  1.615                  2.723
 Raman3 Fr= 1--       2.134                 13.103                  6.543
 ROA3   Fr= 1--    -101.053                 42.757                -40.878
 CID3   Fr= 1--     -47.356                  3.263                 -6.247
 RC180  Fr= 1--      -0.330                  0.459                  0.589
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.05  -0.02    -0.14   0.02   0.02    -0.02   0.08   0.04
     2   6     0.03  -0.01   0.09     0.05  -0.03   0.04    -0.01  -0.00  -0.03
     3   6     0.04  -0.10  -0.10    -0.08   0.19  -0.06    -0.02  -0.04   0.00
     4   6    -0.03   0.03   0.00     0.05  -0.05   0.09    -0.02  -0.03   0.03
     5   8    -0.03   0.01   0.00     0.02  -0.04  -0.04    -0.00  -0.01   0.01
     6   1     0.12  -0.09   0.03    -0.02  -0.02   0.05    -0.12   0.11   0.02
     7   1    -0.27   0.30   0.18    -0.20   0.15   0.09    -0.03   0.37  -0.02
     8   1     0.01   0.31  -0.24    -0.10  -0.13   0.07     0.14   0.01  -0.06
     9   1     0.17  -0.08   0.30    -0.27   0.21  -0.28    -0.04  -0.03   0.10
    10   1     0.17   0.05   0.13     0.04  -0.00   0.07    -0.26  -0.29  -0.03
    11   6    -0.05   0.03  -0.00    -0.02  -0.11   0.01     0.07  -0.02  -0.01
    12   1     0.23   0.05   0.17    -0.05   0.11  -0.11    -0.29  -0.17  -0.18
    13   1    -0.15  -0.26  -0.24     0.19   0.25   0.11     0.08   0.19   0.28
    14   1     0.15  -0.06   0.01    -0.32  -0.17  -0.32    -0.06   0.15   0.15
    15   6    -0.01  -0.03  -0.07     0.04   0.04  -0.06     0.01  -0.10  -0.06
    16   6     0.11   0.00   0.05     0.11  -0.03  -0.00     0.02   0.11   0.01
    17   1    -0.04   0.06   0.10     0.16   0.12   0.18     0.15  -0.13  -0.03
    18   1     0.08  -0.23  -0.03    -0.08  -0.20  -0.02     0.00  -0.08  -0.06
    19   1     0.08  -0.01   0.05    -0.11   0.03  -0.02     0.10  -0.20   0.08
    20   1     0.17   0.06   0.05     0.15  -0.03   0.22     0.17   0.29  -0.27
                     19                     20                     21
                      A                      A                      A
 Frequencies --    989.3570              1028.4673              1063.1149
 Red. masses --      1.7605                 1.7996                 1.7636
 Frc consts  --      1.0153                 1.1215                 1.1744
 IR Inten    --      7.4907                 2.2655                 2.3773
 RamAct Fr= 1--      1.6921                 1.1864                 5.9593
  Dep-P Fr= 1--      0.7466                 0.7420                 0.7353
  Dep-U Fr= 1--      0.8549                 0.8519                 0.8475
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0015
 Beta2  Fr= 1--      0.2411                 0.1685                 0.8417
 AlphaG Fr= 1--     -0.0062                 0.0040                -0.0161
 Gamma2 Fr= 1--     -0.6688                 0.0959                 1.7143
 Delta2 Fr= 1--     -0.9287                -0.2375                 0.0797
 Raman1 Fr= 1--       6.768                  4.746                 23.837
 ROA1   Fr= 1--     -93.920                  1.609                167.117
 CID1   Fr= 1--     -13.876                  0.339                  7.011
 Raman2 Fr= 1--       2.893                  2.021                 10.100
 ROA2   Fr= 1--      -8.620                  4.202                 40.505
 CID2   Fr= 1--      -2.979                  2.079                  4.010
 Raman3 Fr= 1--       5.787                  4.043                 20.201
 ROA3   Fr= 1--     -93.920                  1.609                167.117
 CID3   Fr= 1--     -16.231                  0.398                  8.273
 RC180  Fr= 1--       0.710                  0.704                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.06     0.10   0.01  -0.04    -0.04   0.08   0.03
     2   6     0.06   0.03   0.01    -0.07  -0.03   0.02    -0.01  -0.00  -0.03
     3   6    -0.06  -0.03  -0.01    -0.02  -0.02  -0.01    -0.02   0.00   0.02
     4   6    -0.06  -0.11  -0.03     0.13   0.05   0.01     0.10   0.03  -0.00
     5   8    -0.01  -0.01  -0.00    -0.01   0.04   0.01    -0.00  -0.00   0.01
     6   1     0.12   0.25  -0.00     0.09  -0.12  -0.04    -0.09   0.28   0.03
     7   1    -0.13   0.01   0.10     0.05   0.19  -0.00    -0.06   0.25   0.02
     8   1    -0.35   0.18  -0.01     0.24  -0.03  -0.08    -0.03  -0.01   0.03
     9   1     0.15  -0.08   0.09    -0.32   0.08   0.12    -0.24   0.06   0.05
    10   1     0.03   0.04  -0.03     0.31   0.18   0.09     0.24   0.05   0.08
    11   6     0.04   0.01   0.12    -0.06  -0.10  -0.00    -0.05   0.01  -0.04
    12   1     0.21   0.26   0.11     0.03   0.11  -0.05     0.06  -0.03   0.05
    13   1     0.23   0.21   0.05     0.10   0.09  -0.06    -0.13  -0.18  -0.17
    14   1    -0.14  -0.12  -0.23    -0.24  -0.21  -0.33     0.09  -0.03   0.01
    15   6     0.03  -0.05   0.08    -0.09  -0.07   0.02     0.14  -0.06   0.01
    16   6    -0.02   0.06  -0.08    -0.01   0.08   0.03    -0.13  -0.04  -0.01
    17   1     0.15  -0.22  -0.22    -0.32  -0.09  -0.16     0.49  -0.17  -0.01
    18   1     0.20   0.25   0.03     0.16   0.08   0.00     0.28  -0.03   0.01
    19   1     0.17   0.24  -0.10     0.29   0.09   0.04    -0.14  -0.17   0.02
    20   1    -0.04   0.04  -0.05    -0.05   0.06  -0.16    -0.32  -0.23  -0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1114.3758              1141.9120              1154.8234
 Red. masses --      1.5765                 1.9878                 1.6356
 Frc consts  --      1.1535                 1.5272                 1.2852
 IR Inten    --      5.7519                 0.7543                18.9675
 RamAct Fr= 1--      2.0579                 2.6127                 1.9587
  Dep-P Fr= 1--      0.6779                 0.3835                 0.7078
  Dep-U Fr= 1--      0.8080                 0.5544                 0.8289
 Alpha2 Fr= 1--      0.0026                 0.0205                 0.0014
 Beta2  Fr= 1--      0.2771                 0.2414                 0.2706
 AlphaG Fr= 1--     -0.0104                -0.0005                -0.0126
 Gamma2 Fr= 1--     -1.5433                 0.2495                -0.4900
 Delta2 Fr= 1--     -1.3608                 0.4778                -1.6236
 Raman1 Fr= 1--       8.232                 10.451                  7.835
 ROA1   Fr= 1--    -191.703                 39.242                -99.001
 CID1   Fr= 1--     -23.289                  3.755                -12.636
 Raman2 Fr= 1--       3.326                  2.897                  3.247
 ROA2   Fr= 1--     -26.154                  2.167                  1.228
 CID2   Fr= 1--      -7.864                  0.748                  0.378
 Raman3 Fr= 1--       6.651                  5.793                  6.494
 ROA3   Fr= 1--    -191.703                 39.242                -99.001
 CID3   Fr= 1--     -28.822                  6.774                -15.245
 RC180  Fr= 1--       0.616                  0.109                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05   0.02    -0.01   0.01  -0.11     0.02  -0.09  -0.02
     2   6    -0.04  -0.04   0.03     0.06  -0.01   0.12     0.07   0.07  -0.05
     3   6     0.07  -0.01  -0.01    -0.01  -0.06  -0.08    -0.09  -0.01  -0.00
     4   6    -0.10   0.07  -0.06     0.01   0.10   0.09     0.02  -0.02   0.11
     5   8     0.00  -0.00  -0.00    -0.03   0.03  -0.00    -0.01   0.00   0.01
     6   1     0.03  -0.24   0.02     0.17   0.34  -0.03     0.09  -0.22  -0.01
     7   1    -0.08   0.24   0.04    -0.08  -0.36   0.11    -0.07   0.39   0.01
     8   1     0.45  -0.15  -0.07     0.18   0.07  -0.18     0.23  -0.02  -0.08
     9   1     0.05  -0.01  -0.06    -0.18   0.02   0.22     0.15  -0.06   0.10
    10   1    -0.23   0.27  -0.22    -0.04   0.01   0.10    -0.15   0.26  -0.11
    11   6     0.05  -0.03   0.03     0.03  -0.05  -0.07     0.00   0.01  -0.06
    12   1    -0.06   0.08  -0.08    -0.25  -0.17  -0.19    -0.11  -0.15  -0.05
    13   1     0.15   0.20   0.15     0.00   0.07   0.17    -0.11  -0.08   0.04
    14   1    -0.13   0.02  -0.05    -0.09   0.09   0.07     0.08   0.08   0.12
    15   6     0.08   0.01   0.02     0.03   0.01   0.10    -0.08   0.02   0.03
    16   6    -0.05  -0.09  -0.02    -0.02  -0.05  -0.07     0.06   0.02  -0.03
    17   1    -0.12   0.06   0.00     0.02  -0.09  -0.12     0.33  -0.12  -0.03
    18   1     0.43  -0.09   0.04    -0.16   0.26   0.05     0.02   0.06   0.03
    19   1     0.03   0.19  -0.07    -0.31  -0.08  -0.07     0.13   0.24  -0.06
    20   1    -0.08  -0.13   0.10     0.14   0.07   0.14    -0.31  -0.34   0.14
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1197.3847              1238.5635              1252.4262
 Red. masses --      1.8618                 1.4945                 1.4973
 Frc consts  --      1.5728                 1.3508                 1.3837
 IR Inten    --     16.1840                 6.2650                19.4963
 RamAct Fr= 1--      3.2473                 1.1588                 4.3220
  Dep-P Fr= 1--      0.7484                 0.2974                 0.4924
  Dep-U Fr= 1--      0.8561                 0.4585                 0.6599
 Alpha2 Fr= 1--      0.0001                 0.0120                 0.0221
 Beta2  Fr= 1--      0.4633                 0.0885                 0.4753
 AlphaG Fr= 1--      0.0067                 0.0571                 0.0451
 Gamma2 Fr= 1--      4.0989                 0.9921                 1.5311
 Delta2 Fr= 1--      1.0154                 0.6396                -0.0402
 Raman1 Fr= 1--      12.989                  4.635                 17.288
 ROA1   Fr= 1--     425.984                115.709                145.695
 CID1   Fr= 1--      32.795                 24.963                  8.428
 Raman2 Fr= 1--       5.560                  1.063                  5.704
 ROA2   Fr= 1--      90.250                 18.693                 37.067
 CID2   Fr= 1--      16.231                 17.593                  6.498
 Raman3 Fr= 1--      11.120                  2.125                 11.408
 ROA3   Fr= 1--     425.984                115.709                145.695
 CID3   Fr= 1--      38.307                 54.450                 12.771
 RC180  Fr= 1--       0.712                 -0.083                  0.320
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.05    -0.05   0.05   0.07     0.04   0.01  -0.01
     2   6     0.08   0.08  -0.07     0.06   0.05  -0.06    -0.13  -0.10   0.05
     3   6    -0.03  -0.09   0.01    -0.03  -0.01   0.00     0.00   0.04  -0.02
     4   6     0.02   0.14  -0.04     0.03  -0.01   0.10     0.00   0.04   0.06
     5   8    -0.01  -0.02   0.01     0.00  -0.03  -0.00     0.04  -0.00  -0.02
     6   1    -0.11   0.05   0.03    -0.05  -0.35   0.04    -0.01   0.15  -0.02
     7   1     0.07  -0.19  -0.06     0.05  -0.26  -0.03    -0.02   0.26   0.02
     8   1    -0.32   0.22  -0.03    -0.27   0.10   0.03    -0.40   0.15   0.05
     9   1     0.21  -0.13   0.15    -0.00  -0.01   0.07     0.67  -0.16  -0.22
    10   1    -0.00   0.47  -0.18     0.13   0.08   0.13     0.19   0.14   0.14
    11   6     0.02  -0.09   0.02     0.01   0.00  -0.06     0.02  -0.03  -0.04
    12   1    -0.11   0.08  -0.15    -0.11  -0.16  -0.06    -0.13  -0.09  -0.11
    13   1     0.17   0.20   0.11    -0.08  -0.06   0.05    -0.00   0.03   0.09
    14   1    -0.24  -0.07  -0.17     0.04   0.07   0.08    -0.04   0.06   0.04
    15   6    -0.01   0.01  -0.06     0.02  -0.02   0.01     0.01  -0.01   0.02
    16   6    -0.02  -0.01   0.10    -0.04  -0.00  -0.07     0.01   0.01  -0.02
    17   1     0.12   0.05   0.10    -0.45   0.09  -0.05    -0.08  -0.01  -0.02
    18   1    -0.11  -0.14  -0.04     0.50  -0.12   0.03     0.03   0.05   0.01
    19   1    -0.07  -0.23   0.14     0.07   0.18  -0.10    -0.06  -0.03  -0.01
    20   1    -0.09  -0.06  -0.04     0.12   0.15  -0.03    -0.09  -0.08   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1276.6638              1307.5422              1343.8657
 Red. masses --      1.3477                 1.4455                 1.4351
 Frc consts  --      1.2942                 1.4561                 1.5270
 IR Inten    --      4.8543                 6.7854                 1.4483
 RamAct Fr= 1--      2.8742                 3.7107                 1.7431
  Dep-P Fr= 1--      0.5010                 0.7022                 0.6138
  Dep-U Fr= 1--      0.6676                 0.8250                 0.7607
 Alpha2 Fr= 1--      0.0141                 0.0031                 0.0044
 Beta2  Fr= 1--      0.3198                 0.5102                 0.2210
 AlphaG Fr= 1--     -0.0149                -0.0095                -0.0090
 Gamma2 Fr= 1--      0.8302                -0.9202                 0.5001
 Delta2 Fr= 1--      0.3593                -0.2288                 0.1374
 Raman1 Fr= 1--      11.497                 14.843                  6.972
 ROA1   Fr= 1--      91.200                -95.657                 52.405
 CID1   Fr= 1--       7.933                 -6.445                  7.516
 Raman2 Fr= 1--       3.838                  6.123                  2.652
 ROA2   Fr= 1--      17.051                -20.253                 10.903
 CID2   Fr= 1--       4.443                 -3.308                  4.112
 Raman3 Fr= 1--       7.675                 12.246                  5.304
 ROA3   Fr= 1--      91.200                -95.657                 52.405
 CID3   Fr= 1--      11.882                 -7.811                  9.881
 RC180  Fr= 1--       0.335                  0.650                  0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04  -0.02    -0.03   0.01  -0.02     0.01  -0.13   0.01
     2   6    -0.03   0.03  -0.08     0.03   0.01   0.01     0.01   0.01  -0.01
     3   6     0.06  -0.04   0.02    -0.13   0.03   0.02    -0.01   0.00   0.01
     4   6    -0.01   0.05  -0.02     0.10  -0.04  -0.04    -0.03  -0.07  -0.01
     5   8     0.00  -0.00   0.01     0.01  -0.02  -0.01    -0.01   0.02   0.01
     6   1     0.13  -0.46  -0.02     0.09  -0.21   0.00    -0.04   0.47   0.03
     7   1    -0.11   0.49   0.03    -0.05   0.05   0.02    -0.03   0.31  -0.04
     8   1    -0.33   0.12   0.07     0.37  -0.10  -0.07     0.09  -0.05  -0.00
     9   1    -0.23   0.04   0.01     0.46  -0.13  -0.03    -0.11   0.03   0.04
    10   1     0.07  -0.18   0.11    -0.05   0.13  -0.20     0.36   0.36   0.09
    11   6     0.01  -0.01   0.01    -0.03   0.01   0.01     0.02   0.01  -0.03
    12   1    -0.03   0.02  -0.03     0.08   0.03   0.07    -0.01  -0.07  -0.01
    13   1     0.03   0.02   0.01     0.01  -0.01  -0.10    -0.01   0.03   0.09
    14   1    -0.05  -0.01  -0.04     0.09  -0.07  -0.03     0.06   0.07   0.10
    15   6    -0.00   0.04   0.09     0.04   0.01   0.05     0.01   0.07  -0.02
    16   6     0.00  -0.05  -0.03    -0.05   0.01   0.00    -0.07  -0.06   0.02
    17   1     0.13  -0.04  -0.02    -0.13   0.02  -0.02    -0.03   0.13   0.08
    18   1    -0.07   0.17   0.07    -0.06   0.12   0.04     0.08  -0.08   0.01
    19   1    -0.26  -0.16  -0.02    -0.28  -0.36   0.06     0.12   0.13  -0.01
    20   1     0.25   0.17   0.06     0.27   0.31  -0.07     0.34   0.35  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1346.4949              1373.4657              1377.0396
 Red. masses --      1.3480                 1.4145                 1.3904
 Frc consts  --      1.4399                 1.5721                 1.5534
 IR Inten    --      6.6765                 4.4183                 1.5841
 RamAct Fr= 1--      1.5160                 0.8516                 2.9873
  Dep-P Fr= 1--      0.7437                 0.7200                 0.7347
  Dep-U Fr= 1--      0.8530                 0.8372                 0.8471
 Alpha2 Fr= 1--      0.0002                 0.0004                 0.0008
 Beta2  Fr= 1--      0.2155                 0.1188                 0.4218
 AlphaG Fr= 1--      0.0025                 0.0123                 0.0022
 Gamma2 Fr= 1--      1.1723                -1.0037                 2.3814
 Delta2 Fr= 1--      0.3366                -0.2512                 1.4145
 Raman1 Fr= 1--       6.064                  3.407                 11.949
 ROA1   Fr= 1--     123.312               -104.396                273.877
 CID1   Fr= 1--      20.335                -30.646                 22.920
 Raman2 Fr= 1--       2.586                  1.426                  5.061
 ROA2   Fr= 1--      25.442                -22.080                 45.837
 CID2   Fr= 1--       9.837                -15.484                  9.057
 Raman3 Fr= 1--       5.173                  2.852                 10.122
 ROA3   Fr= 1--     123.312               -104.396                273.877
 CID3   Fr= 1--      23.839                -36.604                 27.057
 RC180  Fr= 1--       0.706                  0.674                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.12  -0.03     0.04   0.01   0.00     0.00   0.01   0.01
     2   6    -0.03  -0.02   0.02    -0.04  -0.03   0.03     0.03   0.02  -0.01
     3   6     0.02   0.02  -0.01     0.03   0.00  -0.03    -0.09   0.01   0.05
     4   6    -0.05  -0.06  -0.00     0.05  -0.01   0.02    -0.05   0.07  -0.08
     5   8     0.01  -0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01  -0.00
     6   1     0.10  -0.42  -0.04    -0.07   0.13  -0.02    -0.01  -0.00   0.01
     7   1     0.03  -0.26   0.02     0.07  -0.15   0.01     0.05  -0.12  -0.03
     8   1     0.00  -0.03   0.01    -0.11   0.07  -0.01     0.28  -0.12   0.00
     9   1    -0.03   0.03  -0.03    -0.01   0.01  -0.05     0.23  -0.08   0.03
    10   1     0.30   0.41   0.05    -0.30   0.07  -0.24     0.46  -0.44   0.45
    11   6     0.02   0.00  -0.03    -0.02   0.01   0.01     0.02  -0.03  -0.00
    12   1    -0.01  -0.05  -0.02     0.03  -0.00   0.05    -0.01   0.09  -0.07
    13   1    -0.00   0.04   0.10    -0.01  -0.02  -0.05     0.07   0.08   0.04
    14   1     0.04   0.08   0.10     0.03  -0.06  -0.04    -0.05   0.05   0.06
    15   6    -0.03  -0.02  -0.01    -0.15   0.04  -0.00    -0.07   0.02  -0.01
    16   6    -0.04  -0.02   0.05     0.01  -0.03  -0.02     0.04  -0.03  -0.01
    17   1     0.47  -0.13   0.04     0.43  -0.10   0.04     0.22  -0.06  -0.00
    18   1    -0.27   0.12  -0.03     0.62  -0.11   0.04     0.28  -0.10   0.02
    19   1     0.20   0.09   0.04    -0.14  -0.12  -0.01    -0.07   0.03  -0.03
    20   1     0.12   0.14  -0.04     0.26   0.19   0.05     0.03  -0.04   0.04
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1387.6987              1417.5781              1449.7409
 Red. masses --      1.4461                 1.2303                 1.0810
 Frc consts  --      1.6407                 1.4567                 1.3386
 IR Inten    --      2.1634                 5.2225                 7.9061
 RamAct Fr= 1--      2.1949                 0.0558                 5.7003
  Dep-P Fr= 1--      0.6960                 0.7494                 0.7196
  Dep-U Fr= 1--      0.8207                 0.8568                 0.8369
 Alpha2 Fr= 1--      0.0021                 0.0000                 0.0030
 Beta2  Fr= 1--      0.3002                 0.0080                 0.7951
 AlphaG Fr= 1--     -0.0050                -0.0001                -0.0167
 Gamma2 Fr= 1--      0.8520                -0.0669                 0.8066
 Delta2 Fr= 1--     -0.4308                -0.0464                -0.3675
 Raman1 Fr= 1--       8.780                  0.223                 22.801
 ROA1   Fr= 1--      68.010                 -7.908                 65.672
 CID1   Fr= 1--       7.746                -35.440                  2.880
 Raman2 Fr= 1--       3.603                  0.096                  9.542
 ROA2   Fr= 1--      23.895                 -1.234                 22.298
 CID2   Fr= 1--       6.632                -12.914                  2.337
 Raman3 Fr= 1--       7.206                  0.191                 19.083
 ROA3   Fr= 1--      68.010                 -7.908                 65.672
 CID3   Fr= 1--       9.438                -41.366                  3.441
 RC180  Fr= 1--       0.641                  0.714                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.07   0.00   0.03
     2   6    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.01   0.01
     3   6    -0.03  -0.01   0.00     0.01  -0.00  -0.01     0.01  -0.00   0.00
     4   6     0.09   0.09   0.04     0.01   0.00   0.01    -0.00  -0.01  -0.00
     5   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   1     0.07   0.01   0.01    -0.02  -0.01  -0.00     0.67   0.09   0.21
     7   1     0.02   0.04  -0.05    -0.01   0.01   0.01     0.33   0.05  -0.60
     8   1    -0.05   0.10  -0.04    -0.06  -0.02   0.02    -0.01   0.03  -0.01
     9   1     0.20  -0.08  -0.04    -0.03   0.01   0.06    -0.02   0.00  -0.04
    10   1    -0.29  -0.38  -0.04    -0.05   0.01  -0.03    -0.00   0.03  -0.01
    11   6    -0.04  -0.02   0.01    -0.09  -0.07  -0.08    -0.00  -0.00  -0.00
    12   1     0.05   0.09   0.01     0.50   0.23   0.18     0.01   0.00   0.01
    13   1     0.05   0.04  -0.08     0.16   0.47   0.27    -0.00   0.01   0.01
    14   1     0.02  -0.04   0.02     0.27   0.12   0.46     0.00   0.00   0.01
    15   6     0.02   0.02  -0.02     0.00  -0.01   0.01    -0.01  -0.00   0.01
    16   6    -0.09  -0.10   0.01     0.01   0.02  -0.01     0.01   0.01  -0.01
    17   1     0.16   0.00   0.02    -0.06  -0.00  -0.02     0.01  -0.04  -0.05
    18   1    -0.22  -0.03  -0.02     0.02  -0.00   0.00     0.01  -0.06   0.01
    19   1     0.51   0.47  -0.07    -0.07  -0.03  -0.01     0.02  -0.09   0.02
    20   1     0.21   0.18  -0.00    -0.05  -0.04  -0.01    -0.01  -0.02   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1473.8154              1496.5326              1499.3447
 Red. masses --      1.0956                 1.0650                 1.0590
 Frc consts  --      1.4022                 1.4053                 1.4026
 IR Inten    --     10.7242                 1.9161                 3.7228
 RamAct Fr= 1--      4.7520                 2.2271                 4.9569
  Dep-P Fr= 1--      0.7489                 0.7461                 0.7461
  Dep-U Fr= 1--      0.8564                 0.8546                 0.8546
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0003
 Beta2  Fr= 1--      0.6783                 0.3172                 0.7060
 AlphaG Fr= 1--     -0.0058                -0.0030                -0.0004
 Gamma2 Fr= 1--     -0.6093                -2.4435                 1.8034
 Delta2 Fr= 1--      0.0825                -1.9182                 0.9001
 Raman1 Fr= 1--      19.008                  8.908                 19.828
 ROA1   Fr= 1--     -55.848               -295.957                201.928
 CID1   Fr= 1--      -2.938                -33.223                 10.184
 Raman2 Fr= 1--       8.140                  3.807                  8.472
 ROA2   Fr= 1--     -15.282                -43.297                 36.080
 CID2   Fr= 1--      -1.878                -11.375                  4.259
 Raman3 Fr= 1--      16.279                  7.613                 16.945
 ROA3   Fr= 1--     -55.848               -295.957                201.928
 CID3   Fr= 1--      -3.431                -38.875                 11.917
 RC180  Fr= 1--       0.713                  0.709                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
     2   6    -0.01  -0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.01   0.00
     3   6     0.01   0.04  -0.07    -0.01   0.00   0.00     0.00   0.01  -0.01
     4   6     0.00   0.01  -0.00     0.02   0.01  -0.01     0.02  -0.03   0.02
     5   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   1     0.02  -0.01   0.01     0.04  -0.01   0.01     0.04  -0.01   0.01
     7   1     0.01   0.03  -0.02     0.02   0.00  -0.03     0.01   0.00  -0.03
     8   1    -0.20  -0.58   0.26     0.00  -0.00  -0.00    -0.02  -0.03   0.01
     9   1     0.17   0.07   0.65     0.04  -0.01   0.00     0.00   0.01   0.03
    10   1    -0.03  -0.01  -0.02    -0.03  -0.04  -0.03    -0.04   0.05  -0.05
    11   6    -0.00   0.01   0.01     0.01   0.02  -0.03     0.02  -0.04   0.02
    12   1    -0.08  -0.06  -0.01     0.27  -0.21   0.26    -0.05   0.53  -0.29
    13   1     0.05   0.03  -0.06    -0.28  -0.09   0.43    -0.01  -0.24  -0.28
    14   1     0.08  -0.07  -0.05    -0.25   0.01  -0.23    -0.23   0.31   0.32
    15   6     0.00   0.02   0.01     0.00   0.01   0.01     0.00   0.00   0.01
    16   6    -0.01  -0.01   0.00     0.02  -0.03   0.04     0.02  -0.01   0.02
    17   1     0.02  -0.07  -0.15     0.02  -0.07  -0.13    -0.00  -0.02  -0.04
    18   1    -0.05  -0.15   0.03    -0.05  -0.13   0.03    -0.01  -0.03   0.01
    19   1     0.01   0.01   0.00    -0.31   0.30  -0.06    -0.26   0.21  -0.05
    20   1     0.02   0.01  -0.00    -0.03   0.01  -0.43    -0.01   0.02  -0.34
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1503.6092              1507.2284              1786.0361
 Red. masses --      1.0565                 1.0880                11.4787
 Frc consts  --      1.4074                 1.4562                21.5737
 IR Inten    --     10.4819                 4.6270               214.6699
 RamAct Fr= 1--      4.0188                 3.6432                19.2758
  Dep-P Fr= 1--      0.7425                 0.5918                 0.4751
  Dep-U Fr= 1--      0.8522                 0.7436                 0.6441
 Alpha2 Fr= 1--      0.0005                 0.0107                 0.1065
 Beta2  Fr= 1--      0.5708                 0.4515                 2.0693
 AlphaG Fr= 1--      0.0044                 0.0053                 0.0535
 Gamma2 Fr= 1--      1.1334                -0.8871                 2.8206
 Delta2 Fr= 1--      0.3293                -0.2410                -1.0590
 Raman1 Fr= 1--      16.075                 14.573                 77.103
 ROA1   Fr= 1--     119.345                -92.872                236.885
 CID1   Fr= 1--       7.424                 -6.373                  3.072
 Raman2 Fr= 1--       6.850                  5.418                 24.832
 ROA2   Fr= 1--      24.568                -19.362                 76.165
 CID2   Fr= 1--       3.587                 -3.574                  3.067
 Raman3 Fr= 1--      13.700                 10.836                 49.664
 ROA3   Fr= 1--     119.345                -92.872                236.885
 CID3   Fr= 1--       8.712                 -8.571                  4.770
 RC180  Fr= 1--       0.704                  0.487                  0.288
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01  -0.01   0.00     0.02  -0.05  -0.02
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.35   0.62   0.31
     3   6     0.00  -0.01   0.01     0.00   0.01  -0.02     0.02  -0.04  -0.03
     4   6    -0.01   0.00   0.01     0.00   0.01  -0.00     0.01  -0.01  -0.00
     5   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.23  -0.40  -0.20
     6   1     0.04  -0.00   0.01     0.07   0.01   0.02     0.01   0.19   0.01
     7   1     0.02  -0.01  -0.03     0.03   0.01  -0.07     0.00   0.04  -0.00
     8   1     0.01   0.10  -0.04    -0.04  -0.14   0.06     0.15  -0.03  -0.04
     9   1    -0.03  -0.01  -0.10     0.04   0.01   0.15    -0.21   0.08   0.14
    10   1     0.03   0.03   0.04    -0.02  -0.04  -0.00    -0.01   0.01  -0.03
    11   6    -0.03   0.01   0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.27  -0.21  -0.05     0.02  -0.03   0.03    -0.01   0.02  -0.01
    13   1     0.31   0.27  -0.26    -0.02   0.00   0.04    -0.00  -0.02  -0.03
    14   1     0.46  -0.27  -0.04    -0.02  -0.02  -0.04     0.00   0.00   0.00
    15   6     0.00   0.00   0.01    -0.01  -0.07  -0.04    -0.00  -0.01  -0.00
    16   6     0.03  -0.02   0.03     0.01  -0.02   0.01    -0.00   0.00   0.00
    17   1     0.00  -0.03  -0.05     0.02   0.25   0.61    -0.01  -0.01   0.02
    18   1    -0.02  -0.04   0.01     0.16   0.64  -0.12     0.00   0.02  -0.01
    19   1    -0.29   0.28  -0.06    -0.09   0.12  -0.03     0.00   0.01   0.00
    20   1    -0.06  -0.02  -0.39    -0.01  -0.02  -0.13    -0.00  -0.00  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3005.3964              3015.4558              3025.4316
 Red. masses --      1.0720                 1.0713                 1.0367
 Frc consts  --      5.7047                 5.7392                 5.5907
 IR Inten    --     11.0776                 8.2867                19.7793
 RamAct Fr= 1--    107.9353                35.0286               222.3474
  Dep-P Fr= 1--      0.1493                 0.5010                 0.0037
  Dep-U Fr= 1--      0.2598                 0.6675                 0.0074
 Alpha2 Fr= 1--      1.6717                 0.1722                 4.8986
 Beta2  Fr= 1--      4.6729                 3.8971                 0.2729
 AlphaG Fr= 1--      1.0071                -0.7112                -0.7719
 Gamma2 Fr= 1--     21.3165                 8.9633                -0.6667
 Delta2 Fr= 1--     10.7102                 5.5250                -1.3749
 Raman1 Fr= 1--     431.741                140.114                889.390
 ROA1   Fr= 1--    2389.112               1037.279               -108.000
 CID1   Fr= 1--       5.534                  7.403                 -0.121
 Raman2 Fr= 1--      56.075                 46.765                  3.275
 ROA2   Fr= 1--     425.916                170.919                 -5.002
 CID2   Fr= 1--       7.595                  3.655                 -1.527
 Raman3 Fr= 1--     112.151                 93.530                  6.551
 ROA3   Fr= 1--    2389.112               1037.279               -108.000
 CID3   Fr= 1--      21.303                 11.090                -16.487
 RC180  Fr= 1--      -0.480                  0.335                 -0.985
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.01  -0.00  -0.05     0.00   0.00   0.01
     4   6    -0.01   0.01   0.02    -0.02   0.01   0.04     0.00   0.00  -0.00
     5   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   1    -0.00   0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.02
     7   1     0.02   0.00   0.01    -0.02  -0.00  -0.01     0.03   0.00   0.02
     8   1     0.05   0.08   0.18     0.17   0.25   0.59    -0.05  -0.06  -0.16
     9   1    -0.02  -0.06   0.00    -0.05  -0.18   0.01     0.01   0.03  -0.00
    10   1     0.17  -0.09  -0.26     0.30  -0.16  -0.45    -0.01   0.00   0.01
    11   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.02  -0.02  -0.03
    12   1     0.01  -0.01  -0.02    -0.10   0.07   0.14    -0.32   0.22   0.47
    13   1    -0.05   0.04  -0.02     0.06  -0.04   0.02     0.42  -0.32   0.19
    14   1    -0.01  -0.03   0.02     0.02   0.04  -0.03     0.20   0.39  -0.27
    15   6    -0.00   0.00   0.02     0.00   0.00   0.00    -0.00  -0.00   0.00
    16   6    -0.01  -0.00  -0.07     0.01  -0.01   0.02    -0.00  -0.00  -0.01
    17   1    -0.00   0.00   0.00    -0.01  -0.03   0.02    -0.00   0.00  -0.00
    18   1     0.01  -0.04  -0.27    -0.00  -0.00  -0.01     0.00  -0.00  -0.03
    19   1    -0.06   0.18   0.84     0.03  -0.07  -0.32    -0.01   0.02   0.11
    20   1     0.12  -0.13  -0.04    -0.15   0.15   0.03     0.01  -0.02  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3026.5859              3030.4155              3036.3373
 Red. masses --      1.0693                 1.0712                 1.0634
 Frc consts  --      5.7713                 5.7957                 5.7762
 IR Inten    --      9.0982                40.8434                21.9400
 RamAct Fr= 1--     18.4106                82.8846               237.7370
  Dep-P Fr= 1--      0.7226                 0.4471                 0.0651
  Dep-U Fr= 1--      0.8390                 0.6179                 0.1223
 Alpha2 Fr= 1--      0.0087                 0.5140                 4.5293
 Beta2  Fr= 1--      2.5744                 8.5363                 4.8452
 AlphaG Fr= 1--      0.0558                 0.1109                 1.1404
 Gamma2 Fr= 1--    -12.1811               -10.3171                16.0693
 Delta2 Fr= 1--     -7.1500                 0.7087                -6.2178
 Raman1 Fr= 1--      73.642                331.538                950.948
 ROA1   Fr= 1--   -1398.185               -967.764               1343.679
 CID1   Fr= 1--     -18.986                 -2.919                  1.413
 Raman2 Fr= 1--      30.892                102.436                 58.142
 ROA2   Fr= 1--    -235.146               -253.279                435.405
 CID2   Fr= 1--      -7.612                 -2.473                  7.489
 Raman3 Fr= 1--      61.785                204.871                116.284
 ROA3   Fr= 1--   -1398.185               -967.764               1343.679
 CID3   Fr= 1--     -22.630                 -4.724                 11.555
 RC180  Fr= 1--       0.678                  0.236                 -0.755
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.01     0.03   0.00   0.00    -0.06  -0.01   0.01
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00   0.02    -0.01  -0.00  -0.04    -0.00  -0.00  -0.01
     4   6    -0.02   0.01   0.03     0.02  -0.01  -0.04     0.00  -0.00  -0.01
     5   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   1    -0.00   0.00   0.02    -0.03  -0.01   0.14     0.12   0.03  -0.50
     7   1    -0.23  -0.04  -0.14    -0.28  -0.04  -0.18     0.61   0.09   0.39
     8   1    -0.06  -0.09  -0.21     0.14   0.21   0.50     0.05   0.07   0.17
     9   1     0.02   0.06  -0.00    -0.05  -0.18   0.01    -0.02  -0.06   0.00
    10   1     0.21  -0.12  -0.32    -0.29   0.16   0.44    -0.05   0.03   0.08
    11   6     0.01  -0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.02   0.02   0.03     0.01  -0.01  -0.02     0.01  -0.01  -0.01
    13   1    -0.04   0.03  -0.02     0.07  -0.06   0.04     0.00  -0.00   0.00
    14   1    -0.02  -0.04   0.02     0.04   0.09  -0.06     0.01   0.01  -0.01
    15   6    -0.01  -0.03  -0.05    -0.00  -0.02  -0.01    -0.00  -0.01  -0.03
    16   6    -0.00   0.00  -0.01    -0.01   0.01  -0.01    -0.01   0.01  -0.00
    17   1     0.08   0.28  -0.16     0.05   0.17  -0.09     0.01   0.05  -0.03
    18   1    -0.02   0.10   0.74    -0.01   0.03   0.25    -0.01   0.05   0.34
    19   1    -0.01   0.03   0.12    -0.01   0.03   0.11    -0.01   0.01   0.05
    20   1     0.05  -0.06  -0.01     0.18  -0.19  -0.03     0.09  -0.10  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3065.3812              3070.1413              3081.2224
 Red. masses --      1.0992                 1.0927                 1.0999
 Frc consts  --      6.0856                 6.0682                 6.1525
 IR Inten    --     14.3802                42.2272                27.3365
 RamAct Fr= 1--     78.6950               162.3386                79.0976
  Dep-P Fr= 1--      0.6905                 0.1542                 0.4883
  Dep-U Fr= 1--      0.8169                 0.2671                 0.6562
 Alpha2 Fr= 1--      0.0820                 2.4832                 0.4121
 Beta2  Fr= 1--     10.7149                 7.2276                 8.6506
 AlphaG Fr= 1--      0.0342                 0.3037                -0.5297
 Gamma2 Fr= 1--     65.2989               -42.9557               -34.6864
 Delta2 Fr= 1--     33.6554               -24.0762               -25.9872
 Raman1 Fr= 1--     314.780                649.354                316.390
 ROA1   Fr= 1--    7345.669              -4894.186              -4161.487
 CID1   Fr= 1--      23.336                 -7.537                -13.153
 Raman2 Fr= 1--     128.579                 86.731                103.808
 ROA2   Fr= 1--    1297.930               -838.327               -624.577
 CID2   Fr= 1--      10.094                 -9.666                 -6.017
 Raman3 Fr= 1--     257.157                173.463                207.615
 ROA3   Fr= 1--    7345.669              -4894.186              -4161.487
 CID3   Fr= 1--      28.565                -28.215                -20.044
 RC180  Fr= 1--       0.634                 -0.466                  0.312
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.05    -0.01  -0.00  -0.01    -0.01   0.00  -0.07
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.01     0.01  -0.00  -0.01    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     6   1    -0.11  -0.03   0.40    -0.03  -0.01   0.12    -0.19  -0.05   0.70
     7   1     0.29   0.04   0.17     0.11   0.02   0.07     0.32   0.05   0.18
     8   1    -0.01  -0.01  -0.03     0.01   0.01   0.04     0.00   0.01   0.02
     9   1     0.01   0.02  -0.00    -0.00  -0.00  -0.00    -0.01  -0.05   0.01
    10   1     0.05  -0.02  -0.07    -0.09   0.05   0.13    -0.00  -0.00   0.00
    11   6     0.01   0.00  -0.00    -0.01   0.00   0.01    -0.00  -0.00   0.00
    12   1    -0.03   0.02   0.04     0.08  -0.06  -0.12     0.02  -0.01  -0.02
    13   1    -0.02   0.01  -0.01     0.06  -0.05   0.03    -0.01   0.00  -0.00
    14   1    -0.02  -0.03   0.02     0.03   0.07  -0.04     0.02   0.04  -0.03
    15   6    -0.01  -0.05   0.05    -0.01  -0.03   0.01     0.01   0.03  -0.04
    16   6    -0.02   0.02   0.02     0.05  -0.05  -0.03     0.00  -0.00  -0.01
    17   1     0.17   0.61  -0.30     0.09   0.33  -0.16    -0.11  -0.41   0.20
    18   1    -0.00  -0.05  -0.25    -0.00   0.00   0.05    -0.01   0.05   0.31
    19   1     0.01  -0.03  -0.18    -0.01   0.04   0.22    -0.00   0.02   0.08
    20   1     0.22  -0.24  -0.03    -0.57   0.60   0.09     0.00  -0.01  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3087.2011              3092.6121              3105.7697
 Red. masses --      1.1013                 1.1018                 1.0951
 Frc consts  --      6.1842                 6.2090                 6.2239
 IR Inten    --     40.7741                32.2758                19.3196
 RamAct Fr= 1--     77.4356                50.3014               101.3031
  Dep-P Fr= 1--      0.4295                 0.6246                 0.4189
  Dep-U Fr= 1--      0.6009                 0.7689                 0.5905
 Alpha2 Fr= 1--      0.5144                 0.1151                 0.7004
 Beta2  Fr= 1--      7.7554                 6.4460                 9.9692
 AlphaG Fr= 1--      0.3657                -0.2541                 0.2634
 Gamma2 Fr= 1--     22.8162               -13.7486                 4.0448
 Delta2 Fr= 1--     15.0534                -7.1239                 7.3213
 Raman1 Fr= 1--     309.742                201.205                405.212
 ROA1   Fr= 1--    2672.069              -1547.826                622.584
 CID1   Fr= 1--       8.627                 -7.693                  1.536
 Raman2 Fr= 1--      93.065                 77.353                119.631
 ROA2   Fr= 1--     427.162               -272.974                 38.506
 CID2   Fr= 1--       4.590                 -3.529                  0.322
 Raman3 Fr= 1--     186.131                154.705                239.262
 ROA3   Fr= 1--    2672.069              -1547.826                622.584
 CID3   Fr= 1--      14.356                -10.005                  2.602
 RC180  Fr= 1--       0.202                  0.538                  0.181
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.01   0.00     0.00   0.01   0.00    -0.03  -0.08  -0.01
     4   6    -0.01   0.01   0.01    -0.01   0.00   0.01     0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   1     0.00   0.00  -0.01     0.01   0.00  -0.04    -0.01  -0.00   0.02
     7   1    -0.01  -0.00  -0.01    -0.02  -0.00  -0.01     0.00   0.00   0.00
     8   1    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05     0.07   0.09   0.24
     9   1     0.02   0.08  -0.01    -0.03  -0.11   0.01     0.25   0.91  -0.11
    10   1     0.09  -0.05  -0.13     0.06  -0.03  -0.10    -0.01   0.00   0.01
    11   6    -0.07   0.05   0.02    -0.02  -0.06   0.07     0.00  -0.01   0.01
    12   1     0.32  -0.23  -0.50     0.20  -0.15  -0.28    -0.00   0.00   0.01
    13   1     0.54  -0.40   0.27    -0.27   0.18  -0.11    -0.07   0.05  -0.03
    14   1    -0.02  -0.00   0.02     0.33   0.64  -0.42     0.05   0.09  -0.06
    15   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6    -0.01   0.01   0.00    -0.00   0.01   0.01    -0.00   0.00  -0.00
    17   1    -0.01  -0.02   0.01     0.00   0.02  -0.01    -0.01  -0.02   0.01
    18   1    -0.00  -0.00  -0.01    -0.00  -0.01  -0.04    -0.00   0.00   0.02
    19   1     0.00  -0.01  -0.05     0.00  -0.01  -0.06    -0.00   0.00   0.01
    20   1     0.09  -0.10  -0.01     0.05  -0.05  -0.01     0.01  -0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   112.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   678.37843 902.345921330.83938
           X            0.98846   0.15085   0.01372
           Y           -0.15068   0.98850  -0.01295
           Z           -0.01552   0.01074   0.99982
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.12768     0.09599     0.06508
 Rotational constants (GHZ):           2.66038     2.00005     1.35609
 Zero-point vibrational energy     468544.6 (Joules/Mol)
                                  111.98485 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     85.29   105.50   364.93   398.71   486.32
          (Kelvin)            546.45   589.51   669.60   697.22   750.40
                              890.15  1040.23  1152.60  1191.80  1270.77
                             1312.37  1381.39  1404.89  1423.46  1479.74
                             1529.59  1603.34  1642.96  1661.53  1722.77
                             1782.02  1801.96  1836.83  1881.26  1933.52
                             1937.31  1976.11  1981.25  1996.59  2039.58
                             2085.85  2120.49  2153.18  2157.22  2163.36
                             2168.57  2569.71  4324.10  4338.57  4352.92
                             4354.58  4360.09  4368.61  4410.40  4417.25
                             4433.19  4441.79  4449.58  4468.51
 
 Zero-point correction=                           0.178459 (Hartree/Particle)
 Thermal correction to Energy=                    0.186435
 Thermal correction to Enthalpy=                  0.187379
 Thermal correction to Gibbs Free Energy=         0.145731
 Sum of electronic and zero-point Energies=           -349.188706
 Sum of electronic and thermal Energies=              -349.180730
 Sum of electronic and thermal Enthalpies=            -349.179786
 Sum of electronic and thermal Free Energies=         -349.221434
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  116.990             30.473             87.657
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.058
 Rotational               0.889              2.981             28.190
 Vibrational            115.212             24.511             19.409
 Vibration     1          0.597              1.974              4.481
 Vibration     2          0.599              1.967              4.062
 Vibration     3          0.665              1.757              1.705
 Vibration     4          0.678              1.716              1.551
 Vibration     5          0.718              1.600              1.222
 Vibration     6          0.750              1.513              1.040
 Vibration     7          0.774              1.449              0.928
 Vibration     8          0.823              1.327              0.751
 Vibration     9          0.841              1.284              0.698
 Vibration    10          0.877              1.202              0.606
 Vibration    11          0.979              0.992              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.930314D-67        -67.031370       -154.345434
 Total V=0       0.113266D+16         15.054100         34.663346
 Vib (Bot)       0.617307D-80        -80.209499       -184.689196
 Vib (Bot)    1  0.348374D+01          0.542045          1.248105
 Vib (Bot)    2  0.281132D+01          0.448911          1.033655
 Vib (Bot)    3  0.768156D+00         -0.114550         -0.263762
 Vib (Bot)    4  0.694836D+00         -0.158118         -0.364080
 Vib (Bot)    5  0.550044D+00         -0.259602         -0.597756
 Vib (Bot)    6  0.476122D+00         -0.322282         -0.742081
 Vib (Bot)    7  0.431885D+00         -0.364632         -0.839595
 Vib (Bot)    8  0.363831D+00         -0.439100         -1.011066
 Vib (Bot)    9  0.343763D+00         -0.463740         -1.067801
 Vib (Bot)   10  0.309044D+00         -0.509979         -1.174271
 Vib (Bot)   11  0.236700D+00         -0.625802         -1.440962
 Vib (V=0)       0.751574D+02          1.875971          4.319584
 Vib (V=0)    1  0.401943D+01          0.604165          1.391141
 Vib (V=0)    2  0.335544D+01          0.525749          1.210583
 Vib (V=0)    3  0.141655D+01          0.151232          0.348225
 Vib (V=0)    4  0.135604D+01          0.132271          0.304565
 Vib (V=0)    5  0.124334D+01          0.094589          0.217798
 Vib (V=0)    6  0.119043D+01          0.075704          0.174314
 Vib (V=0)    7  0.116070D+01          0.064720          0.149024
 Vib (V=0)    8  0.111836D+01          0.048583          0.111866
 Vib (V=0)    9  0.110677D+01          0.044059          0.101448
 Vib (V=0)   10  0.108780D+01          0.036549          0.084157
 Vib (V=0)   11  0.105320D+01          0.022510          0.051830
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.466442D+08          7.668797         17.658058
 Rotational      0.323096D+06          5.509331         12.685703
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000016844    0.000005898    0.000004866
      2        6          -0.000000036    0.000001398   -0.000010882
      3        6           0.000000250   -0.000002561    0.000005529
      4        6          -0.000036233   -0.000059044   -0.000016926
      5        8           0.000000691    0.000000047    0.000001307
      6        1          -0.000000040    0.000000651   -0.000001084
      7        1           0.000000037    0.000001167    0.000000078
      8        1           0.000000274   -0.000002509    0.000008812
      9        1          -0.000000328   -0.000000156    0.000002489
     10        1          -0.000002437    0.000000566    0.000001887
     11        6           0.000000313    0.000003831   -0.000002790
     12        1           0.000004578    0.000000952    0.000003705
     13        1           0.000006399    0.000003417    0.000001856
     14        1           0.000002597    0.000000364    0.000002843
     15        6          -0.000001607   -0.000020678    0.000012305
     16        6           0.000047498    0.000072353    0.000001197
     17        1          -0.000000488    0.000000738   -0.000000758
     18        1          -0.000006807   -0.000010457   -0.000006430
     19        1           0.000002656    0.000003783   -0.000006851
     20        1          -0.000000474    0.000000241   -0.000001152
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000072353 RMS     0.000015363
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.920085D+02  0.338643D+00 -0.194278D+01
      2   0.338643D+00  0.907925D+02  0.707771D+00
      3  -0.194278D+01  0.707771D+00  0.757835D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.398711D+01  0.268665D+01 -0.809506D+01
      2  -0.141134D+02  0.490829D+01 -0.143814D+02
      3   0.161378D+02  0.884345D+01  0.126942D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.430045D+02 -0.205956D+02 -0.202991D+02
      2   0.259559D+02  0.273169D+02  0.292742D+01
      3   0.170486D+02 -0.672131D+01  0.173717D+02
      4   0.687439D+01 -0.607874D+01  0.139756D+02
      5  -0.179465D+02  0.983341D+01 -0.264406D+02
      6   0.100205D+02 -0.447942D+01  0.163671D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.478754D+01 -0.232468D+01 -0.167674D+01 -0.873258D+00  0.280233D+01
      2  -0.232468D+01  0.289798D+00 -0.279516D+00  0.280233D+01  0.242268D+01
      3  -0.167674D+01 -0.279516D+00 -0.258533D+01 -0.521377D+00 -0.183678D+01
                 6             7             8             9            10 
      1  -0.521377D+00 -0.233388D+01 -0.470228D+00 -0.350704D+01  0.847910D+00
      2  -0.183678D+01 -0.470228D+00 -0.105814D+01 -0.711951D+00  0.302618D+01
      3  -0.875449D-01 -0.350704D+01 -0.711951D+00  0.488901D+01 -0.628750D-01
                11            12            13            14            15 
      1   0.302618D+01 -0.628750D-01  0.134850D+01 -0.460331D+01 -0.733033D+00
      2  -0.387185D+01 -0.141780D+01 -0.460331D+01 -0.355661D+00  0.355699D+01
      3  -0.141780D+01  0.159037D+01 -0.733033D+00  0.355699D+01  0.698332D+00
                16            17            18            19            20 
      1   0.842965D+00 -0.190933D+01  0.796322D+00  0.188384D+01 -0.281331D+01
      2  -0.190933D+01  0.300298D+01  0.166845D+01 -0.281331D+01  0.337438D+01
      3   0.796322D+00  0.166845D+01 -0.525829D+00  0.164057D+01 -0.765180D+00
                21            22            23            24            25 
      1   0.164057D+01 -0.314158D+01  0.322041D+01 -0.128375D+01  0.867026D+00
      2  -0.765180D+00  0.322041D+01  0.577969D+01 -0.220059D+01 -0.690635D+00
      3  -0.203834D+01 -0.128375D+01 -0.220059D+01 -0.186331D+01 -0.152588D+01
                26            27            28            29            30 
      1  -0.690635D+00 -0.152588D+01 -0.220389D+01  0.267853D+01 -0.128507D+01
      2  -0.112247D+01 -0.194287D+01  0.267853D+01 -0.185669D+01  0.315571D+01
      3  -0.194287D+01 -0.336201D+01 -0.128507D+01  0.315571D+01  0.274996D+01
                31            32            33            34            35 
      1   0.386880D+01 -0.207222D+01  0.288181D+01 -0.141176D+01  0.385728D+01
      2  -0.207222D+01 -0.263869D+01  0.103587D+01  0.385728D+01  0.196386D+01
      3   0.288181D+01  0.103587D+01 -0.647225D+00  0.296557D+01 -0.104898D+01
                36            37            38            39            40 
      1   0.296557D+01  0.501204D+01 -0.446277D+01 -0.152405D+01 -0.394072D+01
      2  -0.104898D+01 -0.446277D+01  0.386063D+01  0.819810D+00  0.519653D+01
      3  -0.393774D+01 -0.152405D+01  0.819810D+00  0.472786D+00  0.113983D+01
                41            42            43            44            45 
      1   0.519653D+01  0.113983D+01 -0.201202D+01  0.155315D+01  0.189065D+01
      2  -0.100417D+02 -0.316926D+01  0.155315D+01 -0.314147D+01 -0.374954D+01
      3  -0.316926D+01 -0.191892D+01  0.189065D+01 -0.374954D+01 -0.264830D+01
                46            47            48            49            50 
      1   0.204608D+01  0.716264D+00 -0.139732D+01  0.181187D+00  0.161540D+00
      2   0.716264D+00  0.539677D+00 -0.223540D+00  0.161540D+00  0.132206D+00
      3  -0.139732D+01 -0.223540D+00  0.140261D+01  0.136727D+00 -0.799788D+00
                51            52            53            54            55 
      1   0.136727D+00 -0.263796D+01 -0.249505D+00  0.301789D+01  0.865447D+01
      2  -0.799788D+00 -0.249505D+00 -0.173395D+01  0.105042D+01  0.192731D+01
      3   0.341188D+00  0.301789D+01  0.105042D+01 -0.697026D+01  0.224164D+01
                56            57            58            59            60 
      1   0.192731D+01  0.224164D+01  0.614864D+00  0.916329D+00  0.288968D+00
      2   0.178196D+01  0.387724D+00  0.916329D+00  0.794806D+00  0.783406D+00
      3   0.387724D+00  0.176565D+01  0.288968D+00  0.783406D+00  0.306942D+00
                61            62            63            64            65 
      1   0.390731D+01  0.658119D+00  0.233223D+01  0.531934D+00  0.623312D+00
      2   0.658119D+00  0.147090D+01  0.801054D+00  0.623312D+00 -0.139375D-01
      3   0.233223D+01  0.801054D+00  0.142141D+01  0.100540D+01  0.147513D+00
                66            67            68            69            70 
      1   0.100540D+01  0.158691D+01 -0.219054D+00  0.154778D+00  0.148937D+01
      2   0.147513D+00 -0.219054D+00  0.751011D+00  0.123141D+01  0.213258D+00
      3   0.185959D+01  0.154778D+00  0.123141D+01  0.184985D+01  0.108953D+01
                71            72            73            74            75 
      1   0.213258D+00  0.108953D+01 -0.108737D+01 -0.107723D+01  0.870586D-01
      2   0.123995D+01  0.854308D+00 -0.107723D+01 -0.135155D+01  0.470124D+00
      3   0.854308D+00  0.810402D+01  0.870586D-01  0.470124D+00 -0.247355D+00
                76            77            78            79            80 
      1  -0.173876D+01 -0.151472D+01  0.428121D+00 -0.286191D-01  0.225801D+00
      2  -0.151472D+01 -0.820520D+01  0.238696D+01  0.225801D+00  0.751724D+00
      3   0.428121D+00  0.238696D+01 -0.173011D+01 -0.108501D+00 -0.108758D+01
                81            82            83            84            85 
      1  -0.108501D+00 -0.351136D+01  0.386442D+00  0.240895D+01  0.743899D+00
      2  -0.108758D+01  0.386442D+00 -0.838430D+00 -0.100307D+01 -0.763681D+00
      3   0.135125D+01  0.240895D+01 -0.100307D+01 -0.296710D+01 -0.107355D+01
                86            87            88            89            90 
      1  -0.763681D+00 -0.107355D+01  0.307010D+01 -0.988612D+00 -0.295799D+01
      2   0.141628D+01  0.117166D+01 -0.988612D+00  0.123130D+01  0.118429D+01
      3   0.117166D+01  0.156397D+01 -0.295799D+01  0.118429D+01  0.572926D+01
                91            92            93            94            95 
      1   0.281286D+01 -0.201868D+01  0.114336D+01 -0.321764D+01  0.258048D+01
      2  -0.201868D+01  0.170101D+01 -0.387282D+01  0.258048D+01  0.276676D+01
      3   0.114336D+01 -0.387282D+01 -0.164281D+01 -0.448569D+01 -0.133287D+01
                96            97            98            99           100 
      1  -0.448569D+01  0.384283D+00 -0.466336D+01 -0.114660D+01  0.144252D+01
      2  -0.133287D+01 -0.466336D+01 -0.214808D+01  0.162445D+01 -0.123211D+00
      3   0.978460D+00 -0.114660D+01  0.162445D+01  0.255010D+01 -0.959546D+00
               101           102           103           104           105 
      1  -0.123211D+00 -0.959546D+00 -0.458978D+00  0.584693D-04  0.611903D+00
      2   0.103289D+01  0.116277D+01  0.584693D-04 -0.185980D+01 -0.123795D+01
      3   0.116277D+01  0.222210D+01  0.611903D+00 -0.123795D+01 -0.165732D+01
               106           107           108           109           110 
      1  -0.166048D+01  0.471940D+00  0.606725D+00 -0.721248D+01  0.160139D+01
      2   0.471940D+00 -0.164744D+01 -0.193588D+01  0.160139D+01 -0.176278D+01
      3   0.606725D+00 -0.193588D+01 -0.496684D+01 -0.239591D+01  0.896513D+00
               111           112           113           114           115 
      1  -0.239591D+01  0.391489D+01 -0.179620D+01  0.168544D+01 -0.233948D+01
      2   0.896513D+00 -0.179620D+01  0.164034D+01 -0.641447D+00  0.954598D+00
      3  -0.156065D+01  0.168544D+01 -0.641447D+00  0.119496D+01 -0.184649D+01
               116           117           118           119           120 
      1   0.954598D+00 -0.184649D+01 -0.310110D+01 -0.199068D+01  0.655139D+00
      2  -0.540421D+00  0.424282D+00 -0.199068D+01 -0.234079D+01  0.946768D+00
      3   0.424282D+00 -0.184292D+01  0.655139D+00  0.946768D+00 -0.679751D+00
               121           122           123           124           125 
      1  -0.273592D+01 -0.331028D+01  0.103407D+01  0.201565D+01  0.184075D+01
      2  -0.331028D+01 -0.580933D+01  0.144603D+01  0.184075D+01  0.270135D+01
      3   0.103407D+01  0.144603D+01 -0.157046D+01 -0.834538D+00 -0.159321D+01
               126           127           128           129           130 
      1  -0.834538D+00  0.225548D+01  0.221873D+01  0.170402D+01  0.262345D+01
      2  -0.159321D+01  0.221873D+01 -0.263460D+01  0.564938D+00 -0.321190D+01
      3   0.147991D+01  0.170402D+01  0.564938D+00  0.855503D-01  0.702130D+00
               131           132           133           134           135 
      1  -0.321190D+01  0.702130D+00  0.174708D+01  0.960518D+00  0.177739D-01
      2  -0.446705D+01  0.206575D+01  0.960518D+00  0.339625D+01 -0.265279D+01
      3   0.206575D+01 -0.148614D+01  0.177739D-01 -0.265279D+01 -0.643584D+01
               136           137           138           139           140 
      1   0.475310D-01 -0.386582D+01 -0.801721D+00 -0.383143D+01  0.402453D+01
      2  -0.386582D+01  0.377447D+01 -0.113885D+01  0.402453D+01  0.506361D+00
      3  -0.801721D+00 -0.113885D+01 -0.227334D+00 -0.975945D+00 -0.108335D+01
               141           142           143           144           145 
      1  -0.975945D+00 -0.134323D+01 -0.747436D+00 -0.268293D+00  0.112095D+01
      2  -0.108335D+01 -0.747436D+00 -0.246540D+01  0.147601D+01  0.158033D+01
      3   0.191168D+01 -0.268293D+00  0.147601D+01  0.641714D+01 -0.692034D+00
               146           147           148           149           150 
      1   0.158033D+01 -0.692034D+00  0.169326D+01  0.232426D+01 -0.372180D+00
      2   0.207809D+01 -0.368110D+00  0.232426D+01  0.102222D+02 -0.177446D+01
      3  -0.368110D+00  0.234184D+00 -0.372180D+00 -0.177446D+01  0.135519D+01
               151           152           153           154           155 
      1  -0.112336D+01 -0.773399D+00  0.466181D+00 -0.264792D+00  0.956104D-01
      2  -0.773399D+00 -0.339059D+01  0.197908D+01  0.956104D-01  0.222121D+00
      3   0.466181D+00  0.197908D+01 -0.568912D+00  0.770702D+00 -0.989195D-01
               156           157           158           159           160 
      1   0.770702D+00  0.358738D-01  0.376275D+00  0.196661D-01  0.158665D+01
      2  -0.989195D-01  0.376275D+00  0.174510D+01  0.132032D+01  0.118327D+00
      3  -0.110721D+00  0.196661D-01  0.132032D+01  0.127527D+01  0.429172D+00
               161           162           163           164           165 
      1   0.118327D+00  0.429172D+00  0.392672D+00  0.416922D+00 -0.720401D+00
      2   0.218208D+01  0.269910D+01  0.416922D+00 -0.199501D+00  0.148839D+00
      3   0.269910D+01  0.754271D+01 -0.720401D+00  0.148839D+00  0.406210D+00
               166           167           168           169           170 
      1  -0.173940D+00 -0.546078D+00  0.456828D-02 -0.168571D+01 -0.258278D+00
      2  -0.546078D+00 -0.457592D+00 -0.777654D+00 -0.258278D+00 -0.139453D+01
      3   0.456828D-02 -0.777654D+00 -0.111700D+01 -0.682219D+00  0.257529D+00
               171           172           173           174           175 
      1  -0.682219D+00 -0.487975D+01  0.340535D+01 -0.141171D+00  0.350059D+01
      2   0.257529D+00  0.340535D+01 -0.378492D+01  0.467089D+00 -0.356531D+01
      3  -0.772274D+01 -0.141171D+00  0.467089D+00 -0.729610D+00  0.357506D+00
               176           177           178           179           180 
      1  -0.356531D+01  0.357506D+00  0.666068D+00 -0.102955D+00 -0.734483D+00
      2   0.565765D+01 -0.144254D+00 -0.102955D+00  0.702101D+00  0.703829D+00
      3  -0.144254D+00  0.602180D+00 -0.734483D+00  0.703829D+00 -0.503411D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.162770D+01  0.400973D+00  0.529134D+00 -0.968896D+00 -0.456976D+00
      2  -0.569113D+01 -0.111046D+01 -0.626614D+01  0.826471D+00 -0.262370D+01
      3   0.534326D+01 -0.919903D+01 -0.346050D+01 -0.475994D+01 -0.289239D+01
                 6             7             8             9            10 
      1  -0.340208D+01  0.120446D+01  0.498804D+01 -0.325570D+01  0.430835D+01
      2   0.171063D+01 -0.122278D+02 -0.317315D+01  0.884500D+01 -0.155158D+02
      3   0.515970D+01 -0.456282D+01  0.198582D+01 -0.115893D+00 -0.578419D+01
                11            12            13            14            15 
      1   0.411901D+01 -0.205315D+01  0.392353D+01 -0.104943D+01  0.669064D+01
      2  -0.722948D+01  0.385137D+01 -0.439201D+01  0.712176D+01 -0.229257D+01
      3  -0.624010D+01  0.298596D+01  0.134014D+01  0.339189D+01 -0.853039D+01
                16            17            18            19            20 
      1   0.743722D-01  0.139568D+02  0.777568D+00 -0.393418D+01  0.206884D+01
      2  -0.122115D+02 -0.400171D+01  0.103161D+02 -0.424434D+01  0.662103D+01
      3  -0.192053D+01 -0.947241D+01  0.461772D+00  0.200807D+01  0.118190D+01
                21            22            23            24            25 
      1  -0.410116D+01  0.253089D+01  0.440131D+01 -0.778417D+01 -0.435852D+01
      2   0.238108D+01  0.728097D+01 -0.497953D+01  0.448128D+01 -0.877789D+01
      3  -0.239004D+01  0.633944D+01 -0.679658D+01  0.274465D+01 -0.269226D+01
                26            27            28            29            30 
      1  -0.281830D+01 -0.625860D+01  0.303033D+01 -0.982421D+00  0.142360D+00
      2   0.502224D+01  0.353070D+00  0.865706D+01 -0.858104D+01  0.675785D+00
      3   0.316455D+01  0.161407D+01  0.472002D+01 -0.688354D+01  0.705060D+01
                31            32            33            34            35 
      1  -0.177616D+01  0.110494D+01 -0.132539D+01  0.165984D+01  0.587876D+01
      2  -0.125572D+02 -0.126777D+01  0.165166D+01 -0.180108D+01 -0.125462D+01
      3  -0.267637D+00 -0.449595D+01  0.241771D+01  0.922019D+01  0.237782D+01
                36            37            38            39            40 
      1   0.729531D+00 -0.341750D+01 -0.180615D+01  0.397399D+01  0.134452D+01
      2   0.271095D+01  0.145895D+01  0.389841D+01  0.444482D+01  0.337534D+01
      3  -0.287877D+01 -0.585778D+00 -0.306027D+01 -0.299708D+00  0.674143D+01
                41            42            43            44            45 
      1  -0.323762D+00 -0.979189D+01  0.157488D+01 -0.255916D+01 -0.422919D+01
      2  -0.709095D+01 -0.458178D+01  0.366438D+01 -0.194356D+01 -0.835436D+01
      3   0.117816D+02  0.301403D+01  0.442293D+01  0.591081D+01  0.226131D+01
                46            47            48            49            50 
      1   0.120049D+01  0.292059D+00 -0.110612D+01  0.503908D+00 -0.741009D+00
      2  -0.240815D+01 -0.951259D+00  0.412130D+01  0.576231D-01 -0.622126D+00
      3  -0.121720D+00 -0.143018D+01 -0.567170D+00  0.179490D+01  0.971705D+00
                51            52            53            54            55 
      1  -0.104120D+01 -0.258404D+01  0.170098D+01  0.544562D+01 -0.306453D+01
      2   0.152288D+00  0.428269D+01  0.345146D+01 -0.154696D+02  0.918101D+01
      3   0.817808D+00 -0.702286D+00  0.455742D+01 -0.419898D+00  0.556132D+01
                56            57            58            59            60 
      1  -0.851280D+00 -0.158027D+01  0.314437D+00  0.766171D+00 -0.105777D+01
      2   0.246874D+01  0.631639D+01  0.269662D+00  0.912623D+00  0.524991D+00
      3  -0.325367D+01  0.134714D+01  0.511964D+00 -0.119956D+01 -0.172233D+01
                61            62            63            64            65 
      1  -0.254834D+01 -0.284006D-01 -0.118713D+01  0.130072D+01  0.126344D+01
      2   0.600926D+01  0.297408D+01  0.403708D+01  0.180299D+00 -0.130752D+01
      3   0.334513D+01 -0.315128D+01  0.775143D+00 -0.958470D-01 -0.230811D+01
                66            67            68            69            70 
      1   0.299022D+01 -0.391547D+00  0.349161D+01  0.332886D+01  0.186518D+01
      2  -0.233633D+01 -0.166236D+01 -0.150684D+00 -0.127757D+01 -0.352888D+01
      3  -0.146210D+01 -0.995863D-01  0.108084D+00 -0.689646D+00 -0.100538D+01
                71            72            73            74            75 
      1   0.512256D+01  0.914866D+01 -0.122631D+01 -0.202276D+01 -0.181063D+00
      2  -0.593136D+00 -0.385351D+01  0.901948D+00  0.117956D+01  0.135882D+01
      3  -0.691742D+00 -0.221180D+01  0.116559D+01 -0.666676D+00  0.810722D+00
                76            77            78            79            80 
      1  -0.158517D+01 -0.754125D+01 -0.180642D+01  0.770995D+00  0.119376D+01
      2   0.310726D+01  0.134134D+01  0.136849D-02 -0.123044D+01 -0.238860D+00
      3   0.562935D+01  0.801492D+00 -0.264357D+00  0.324576D+00  0.369790D+00
                81            82            83            84            85 
      1  -0.246831D-01 -0.868302D-02 -0.149921D+01 -0.433147D-01 -0.919234D-01
      2   0.544665D-02 -0.106816D+00  0.117866D+01  0.377199D+01  0.722648D-01
      3   0.941406D-01  0.182807D+00 -0.313792D+01 -0.183341D+01  0.372488D-01
                86            87            88            89            90 
      1   0.110419D+01 -0.826291D+00  0.150622D+00  0.258935D+01 -0.398339D+00
      2  -0.284973D+00 -0.878693D+00 -0.247253D+01 -0.278414D+00 -0.586120D+01
      3   0.331501D+01  0.191136D+01 -0.204164D+01  0.326934D+01  0.218714D+01
                91            92            93            94            95 
      1   0.172849D+01 -0.604303D+01  0.174137D+01 -0.809967D+01 -0.420910D+01
      2  -0.136587D+01  0.110508D+02  0.793913D+01  0.125124D+02  0.501978D+01
      3  -0.924446D+01  0.383852D+01 -0.124754D+02  0.120608D+02  0.495226D+01
                96            97            98            99           100 
      1   0.258275D+00  0.296709D+01  0.448719D+01  0.156363D+01 -0.799549D+00
      2  -0.604969D+01  0.868691D+00 -0.685732D+01 -0.763963D+01  0.531637D+01
      3   0.110162D+01 -0.132566D+02 -0.774649D+00  0.479221D+01 -0.298621D+01
               101           102           103           104           105 
      1  -0.538518D+00  0.177416D+01  0.556149D+00  0.519934D+00 -0.223748D+01
      2  -0.293365D+01 -0.550415D+01 -0.284214D+01  0.331061D+01  0.481960D+01
      3   0.186776D+01  0.391500D+01  0.220882D+01 -0.420179D+01 -0.388878D+01
               106           107           108           109           110 
      1   0.635508D+00  0.132752D+01 -0.439139D+01 -0.350588D+01  0.297154D+01
      2  -0.574560D+01  0.519603D+01  0.127434D+02  0.177196D+01 -0.127516D+01
      3   0.398877D+01 -0.433679D+01 -0.603243D+01  0.922308D+01 -0.851901D+01
               111           112           113           114           115 
      1  -0.149183D+01  0.227655D+01 -0.224108D+01  0.150707D+00 -0.232635D+01
      2   0.522388D+01 -0.239520D+01  0.794104D+00 -0.314943D+01  0.146932D+01
      3   0.453409D+01 -0.592160D+01  0.699725D+01 -0.259558D+01  0.465208D+01
               116           117           118           119           120 
      1   0.207214D+01 -0.147575D+01  0.181635D+01  0.246929D+01 -0.206726D+01
      2  -0.520419D+00  0.476714D+01 -0.227845D+01 -0.342059D+01  0.312152D+01
      3  -0.310792D+01  0.250473D+01 -0.176889D+01 -0.578540D+01  0.200526D+01
               121           122           123           124           125 
      1   0.289341D+01  0.433877D+01 -0.513792D+01 -0.150706D+01 -0.188655D+01
      2  -0.335102D+01 -0.485842D+01  0.562320D+01  0.103462D+01  0.433653D+01
      3  -0.321448D+01 -0.127991D+02  0.295727D+01  0.182908D+01  0.565763D+01
               126           127           128           129           130 
      1   0.335461D+01 -0.272260D+01 -0.297742D+01 -0.178447D+00 -0.274108D+01
      2  -0.456082D+01  0.167708D+01  0.244512D+01  0.183590D+01  0.696337D+00
      3  -0.346687D+01  0.465761D+01  0.722656D+01  0.342287D+01  0.127435D+02
               131           132           133           134           135 
      1  -0.798198D+01  0.213299D+01  0.104442D+01  0.103620D+02  0.134381D+02
      2   0.245746D+01 -0.472346D+00 -0.412160D+01 -0.177031D+01 -0.383322D+01
      3  -0.563589D+01 -0.564508D+00  0.306342D+01 -0.117395D+01  0.992413D+00
               136           137           138           139           140 
      1   0.397138D+01  0.399891D-01  0.125822D+01 -0.808314D+00  0.442506D+01
      2   0.171270D+01 -0.200204D+01  0.204757D+01 -0.166884D+01  0.388837D+01
      3  -0.877250D+01 -0.644260D+01 -0.359251D+01 -0.250348D+00  0.881027D+01
               141           142           143           144           145 
      1  -0.508182D+01  0.784053D+00  0.113944D+01 -0.108963D+02  0.183919D+01
      2  -0.246887D+01 -0.295672D+01 -0.270591D+01 -0.518083D+01 -0.249358D+00
      3  -0.236132D+01 -0.351840D+01 -0.386267D+01  0.170840D+01  0.189736D+01
               146           147           148           149           150 
      1   0.161971D+01 -0.132901D+01  0.141442D+01  0.601491D+01 -0.619680D+01
      2  -0.960741D+00  0.112381D+01  0.405420D-01 -0.206011D+01  0.156626D+01
      3   0.136448D+00 -0.127346D+01  0.539909D+01 -0.248824D+01  0.286662D+00
               151           152           153           154           155 
      1  -0.108871D+01 -0.405934D+01  0.198633D+01 -0.180459D+01  0.163279D+00
      2  -0.933309D+00  0.144916D+01 -0.397965D+00  0.530464D+00 -0.473756D-01
      3  -0.341349D+01  0.104288D+01 -0.226642D+00 -0.108689D+01 -0.142602D+01
               156           157           158           159           160 
      1   0.508402D+00  0.134963D+00 -0.178605D+01 -0.302030D+01 -0.539425D+00
      2   0.882268D+00 -0.425307D+00  0.678076D+00  0.871022D+00 -0.302989D+01
      3   0.163153D+01  0.256753D+00  0.556960D-01 -0.669091D+00  0.428133D+01
               161           162           163           164           165 
      1  -0.150333D+01 -0.163194D+02  0.117801D+01 -0.256984D-01 -0.923835D+00
      2   0.147924D+01  0.500153D+01  0.123953D+01  0.138362D+00  0.250535D+00
      3  -0.116247D+01 -0.603781D+00  0.115912D+01 -0.260119D+00 -0.118192D+01
               166           167           168           169           170 
      1   0.737828D+00  0.205481D+01  0.114737D+01  0.101316D+01  0.380051D+01
      2  -0.705077D+00 -0.143921D+00  0.137608D+01 -0.404080D+01 -0.260592D+00
      3   0.428659D+00 -0.165844D+01 -0.634040D+00 -0.311369D+01 -0.156894D+01
               171           172           173           174           175 
      1   0.116852D+02 -0.151719D+01  0.133836D+01  0.213760D+01  0.801896D+00
      2   0.719603D+01 -0.173724D+01  0.119272D+01  0.265540D+01  0.176028D+01
      3  -0.773548D+00 -0.564146D+01 -0.104227D+01  0.478997D+00  0.503325D+01
               176           177           178           179           180 
      1  -0.224511D+01 -0.289426D+01  0.137756D+01 -0.360198D+00  0.661313D+00
      2  -0.144193D+01 -0.160742D+01 -0.262720D+00 -0.479879D+00  0.146592D+00
      3   0.115189D+01  0.538019D+00  0.109960D+01  0.966757D+00 -0.661699D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.216597D+02 -0.143457D+02 -0.942368D+01 -0.887619D+00  0.308509D+01
      2   0.139122D+02  0.139482D+02  0.214383D+01  0.388311D+01  0.499403D+01
      3   0.774751D+01  0.397528D+00  0.727985D+01 -0.299549D+01 -0.807912D+01
      4  -0.129435D+02 -0.653213D+01 -0.584375D+01  0.490015D+01  0.766856D+01
      5  -0.112626D+02 -0.267298D+01 -0.119206D+02 -0.476152D+00 -0.309703D+01
      6  -0.340796D+01  0.175053D-02 -0.929435D+00 -0.204708D+00 -0.115041D+01
                 6             7             8             9            10 
      1  -0.140702D+01 -0.124924D+02 -0.414609D+01 -0.101674D+02  0.989632D+00
      2   0.501957D+00  0.196417D+01 -0.266732D+01  0.165371D+02 -0.863735D+01
      3   0.905067D+00  0.105282D+02  0.681340D+01 -0.636976D+01  0.764772D+01
      4  -0.478366D+01 -0.911037D+01 -0.366246D+01 -0.817875D+01  0.130838D+02
      5   0.105444D+00 -0.162494D+02 -0.488650D+01  0.164749D+02  0.526803D+01
      6   0.100532D+01 -0.538812D+01 -0.742618D+00  0.102390D+02 -0.131049D+01
                11            12            13            14            15 
      1  -0.958368D+00 -0.479244D+01 -0.238854D+01 -0.189327D+01  0.250891D+01
      2   0.923734D+01 -0.330387D+00  0.672123D+01 -0.134587D+02 -0.441815D+01
      3  -0.827897D+01  0.512282D+01 -0.433270D+01  0.153520D+02  0.190924D+01
      4  -0.165082D+02 -0.245360D+01 -0.260661D+02  0.190414D+02  0.993048D+01
      5  -0.156273D+01  0.309310D+00 -0.558477D+01  0.587451D+01  0.396719D+01
      6   0.601820D+01  0.117063D+00  0.258206D+01 -0.134194D+02 -0.968290D+01
                16            17            18            19            20 
      1   0.449363D+01  0.406558D+00  0.419395D+01 -0.545489D+01  0.537988D+01
      2   0.541101D+00 -0.901318D+01 -0.933670D+01  0.255945D+01 -0.452890D+01
      3  -0.503473D+01  0.860662D+01  0.514275D+01  0.289544D+01 -0.850975D+00
      4  -0.993624D+01  0.163133D+02  0.575387D+01 -0.618963D+01  0.544865D+01
      5   0.442949D+01  0.176595D+01  0.756650D+01 -0.568959D+01  0.163923D+01
      6   0.726698D+00 -0.321869D+01 -0.460874D+01 -0.328258D+01  0.233936D+01
                21            22            23            24            25 
      1   0.490861D+01  0.103151D+02  0.138118D+02  0.478101D+01  0.969622D-01
      2   0.563781D+01 -0.883483D+01 -0.187427D+02  0.994558D+01  0.359188D+01
      3  -0.105464D+02 -0.148031D+01  0.493090D+01 -0.147266D+02 -0.368884D+01
      4   0.520264D+00  0.580887D+01 -0.650385D+01  0.893640D+00  0.243611D+01
      5   0.296569D+01  0.320000D+01  0.253891D+01 -0.246084D+01  0.260498D+01
      6   0.129975D+01  0.384435D+01  0.129060D+02 -0.807425D-02 -0.457901D-01
                26            27            28            29            30 
      1   0.500622D+01  0.109455D+02 -0.816581D+00 -0.613452D+01  0.509756D+01
      2   0.645273D+01  0.960176D+01  0.287579D+01 -0.392781D+00 -0.434910D+01
      3  -0.114589D+02 -0.205472D+02 -0.205921D+01  0.652730D+01 -0.748453D+00
      4  -0.725484D+00 -0.291450D+01 -0.175861D+01 -0.213847D+01 -0.995743D+01
      5  -0.231972D+01 -0.854954D+01  0.754735D+01 -0.109556D+02 -0.161872D+02
      6   0.275234D+01  0.677259D+00 -0.490337D+01 -0.372117D+01  0.129961D+01
                31            32            33            34            35 
      1  -0.886748D+01  0.339994D+01 -0.123415D+02 -0.967792D+00 -0.113081D+02
      2   0.225218D+01 -0.924981D+00  0.556391D+01 -0.445628D+01  0.606879D+01
      3   0.661530D+01 -0.247496D+01  0.677762D+01  0.542407D+01  0.523930D+01
      4  -0.624212D+01  0.602338D+01 -0.181376D+01 -0.100974D+02 -0.623721D+01
      5  -0.161611D+02 -0.279262D+01  0.512619D+01 -0.139542D+02  0.449094D+01
      6  -0.193409D+01 -0.194589D+01 -0.495122D+01  0.136914D+01 -0.213177D+01
                36            37            38            39            40 
      1  -0.114541D+02  0.197632D+02 -0.699569D+01 -0.285148D+01 -0.412367D+01
      2   0.757392D+01  0.475322D-01 -0.755082D+01  0.166168D+01 -0.105621D+02
      3   0.388017D+01 -0.198107D+02  0.145465D+02  0.118979D+01  0.146858D+02
      4   0.353654D+01 -0.301724D+02  0.310079D+02  0.630329D+01  0.353430D+02
      5   0.188319D+02 -0.622929D+01  0.356726D+01  0.854579D+01  0.574525D+01
      6  -0.691001D+01  0.572634D+01 -0.385238D+01 -0.547491D+01 -0.544476D+01
                41            42            43            44            45 
      1  -0.123693D+02 -0.564605D+01 -0.790613D+00 -0.548295D+01 -0.648315D+01
      2   0.387106D+02  0.706953D+01  0.315080D-01  0.855172D+01  0.337234D+01
      3  -0.263413D+02 -0.142347D+01  0.759105D+00 -0.306877D+01  0.311081D+01
      4  -0.467872D+02 -0.108264D+02  0.105482D+02 -0.133434D+02 -0.143953D+02
      5  -0.701673D+01 -0.958920D+01  0.109480D+02 -0.116624D+02 -0.123237D+02
      6   0.164102D+02  0.169148D+02 -0.759541D+01  0.190169D+02  0.133190D+02
                46            47            48            49            50 
      1   0.895894D+01  0.291280D+01 -0.447901D+01 -0.304333D+00 -0.201354D+01
      2  -0.838723D+01 -0.243392D+01  0.517852D+01  0.110466D+01  0.261056D+00
      3  -0.571705D+00 -0.478882D+00 -0.699504D+00 -0.800331D+00  0.175248D+01
      4   0.540684D+01  0.461802D+01 -0.280256D+01  0.377537D+01  0.143903D+01
      5  -0.783152D+01 -0.157291D+01  0.108912D+02  0.545141D+00 -0.370774D+01
      6  -0.305910D+01 -0.135706D+01  0.224992D+01 -0.233964D+01 -0.201991D+01
                51            52            53            54            55 
      1   0.178378D+01 -0.709477D+01  0.251586D+01 -0.249563D+00  0.488102D+02
      2  -0.211157D+01  0.108054D+02 -0.221781D+00 -0.188086D+02 -0.271737D+02
      3   0.327790D+00 -0.371068D+01 -0.229408D+01  0.190581D+02 -0.216365D+02
      4  -0.422591D+01 -0.424249D+01 -0.646811D+01  0.750946D+01  0.212263D+02
      5   0.639736D+00  0.170569D+02  0.483157D+01 -0.288413D+02  0.154513D+02
      6   0.626074D+01  0.527699D+01  0.593825D+01 -0.124772D+02  0.333634D+01
                56            57            58            59            60 
      1   0.990982D+01  0.118184D+02  0.476349D+00  0.324773D+01  0.114393D+01
      2  -0.464629D+01 -0.705934D+01  0.164023D+01  0.356176D+00  0.330639D+00
      3  -0.526352D+01 -0.475906D+01 -0.211657D+01 -0.360391D+01 -0.147457D+01
      4   0.135498D+02  0.499293D+01  0.979932D+01  0.546029D+01  0.368820D+01
      5   0.290280D+01  0.116717D+02  0.145949D+01  0.398123D+01  0.140286D+01
      6   0.120725D+01  0.304207D+01  0.130697D+01  0.929546D+00  0.251433D+01
                61            62            63            64            65 
      1   0.188685D+02  0.347340D+01  0.893683D+01  0.141393D+01 -0.780037D+00
      2  -0.120191D+02 -0.253998D+00 -0.853531D+01 -0.526634D+01  0.411785D+00
      3  -0.684945D+01 -0.321940D+01 -0.401513D+00  0.385241D+01  0.368251D+00
      4   0.882846D+01  0.716194D+01  0.677827D+01  0.106280D+00  0.126694D+01
      5   0.150347D+02  0.531139D+01  0.965717D+01  0.472539D+01  0.793197D+00
      6   0.441575D+01  0.319177D+01  0.183962D+01  0.303814D+00  0.106067D+01
                66            67            68            69            70 
      1  -0.463900D+01 -0.954629D+00 -0.411747D+01 -0.497010D+01 -0.221707D+01
      2  -0.478109D+01  0.943895D+00 -0.765613D+00 -0.580602D+01 -0.251562D+01
      3   0.942009D+01  0.107337D-01  0.488308D+01  0.107761D+02  0.473268D+01
      4  -0.531456D+00 -0.852882D+00  0.161078D+01  0.104425D+01 -0.194592D+01
      5   0.824821D+01  0.140278D+01  0.103629D+01  0.155350D+01  0.622779D+01
      6  -0.254498D+01  0.532248D+00  0.936812D+00  0.340380D+01 -0.794122D+00
                71            72            73            74            75 
      1  -0.154447D+01 -0.235216D+02  0.468139D+00 -0.120378D+01  0.534018D+00
      2  -0.372435D+01 -0.195330D+02  0.256679D+01  0.220863D+01 -0.330108D+00
      3   0.526882D+01  0.430546D+02 -0.303493D+01 -0.100484D+01 -0.203910D+00
      4   0.869035D+00  0.958137D+00  0.437880D+01  0.815173D+01 -0.208445D+01
      5   0.795978D+00  0.760771D+01 -0.231961D+01 -0.341141D+01  0.325397D+01
      6   0.474919D+01 -0.675953D+01 -0.253097D+01 -0.312922D+01  0.215388D+01
                76            77            78            79            80 
      1  -0.224126D+01 -0.214208D+02  0.806790D+01 -0.536457D+00  0.268826D+01
      2   0.425424D+01  0.312399D+02 -0.644607D+01  0.156521D+00 -0.757773D+00
      3  -0.201298D+01 -0.981917D+01 -0.162183D+01  0.379936D+00 -0.193049D+01
      4   0.775162D+01  0.810366D+01 -0.214673D+01 -0.105238D+01 -0.104735D+01
      5  -0.248026D+01 -0.265264D+01  0.191011D+01  0.188224D+01  0.209446D+01
      6  -0.354834D+01 -0.203325D+02  0.118707D+02  0.150924D+01  0.821214D+01
                81            82            83            84            85 
      1  -0.554844D+01  0.147946D+02 -0.958047D+00 -0.791625D+01 -0.187231D+01
      2   0.155891D+01 -0.127715D+02  0.164858D+01  0.964237D+01  0.252113D+01
      3   0.398953D+01 -0.202306D+01 -0.690531D+00 -0.172612D+01 -0.648812D+00
      4   0.171476D+01 -0.373521D+01  0.629000D+01  0.528291D+01  0.628826D+01
      5  -0.765930D+00 -0.168833D+02  0.544767D+01  0.185893D+02  0.601863D+01
      6  -0.512858D+01  0.381318D+01 -0.145435D+01 -0.245506D+01 -0.321537D+01
                86            87            88            89            90 
      1  -0.717481D+00  0.128076D+01 -0.737422D+01  0.392431D+00  0.140308D+01
      2  -0.693959D-01 -0.256099D+01  0.108726D+02 -0.212149D+01 -0.160156D+02
      3   0.786876D+00  0.128024D+01 -0.349840D+01  0.172906D+01  0.146125D+02
      4  -0.495095D+01 -0.549382D+01  0.411363D+01 -0.470401D+01 -0.690771D+01
      5  -0.626088D+01 -0.701029D+01  0.187820D+02 -0.596740D+01 -0.276368D+02
      6   0.370402D+01  0.773482D+01 -0.406975D+01  0.541844D+01  0.655972D+01
                91            92            93            94            95 
      1  -0.154009D+02  0.955978D+01 -0.161429D+02  0.160451D+02 -0.936294D+01
      2   0.104217D+02 -0.123601D+02  0.985458D+01 -0.176010D+02 -0.100499D+01
      3   0.497913D+01  0.280029D+01  0.628827D+01  0.155591D+01  0.103679D+02
      4   0.906914D+01 -0.885350D+01  0.168394D+02 -0.114862D+02 -0.149442D+02
      5  -0.828108D+01  0.203433D+02  0.361667D+01  0.255911D+02  0.786998D+01
      6   0.547230D+01  0.730350D+01  0.771442D+01  0.757611D+01  0.583898D+01
                96            97            98            99           100 
      1   0.241569D+02 -0.125577D+02  0.226862D+02  0.111760D+02 -0.532791D+01
      2  -0.758779D+01  0.113318D+02 -0.572107D+01 -0.477866D+01  0.151004D+01
      3  -0.165691D+02  0.122587D+01 -0.169652D+02 -0.639737D+01  0.381787D+01
      4   0.115279D+02  0.214397D+02  0.141983D+02 -0.245145D+01 -0.348942D+01
      5  -0.182336D+01  0.127598D+01 -0.306385D+01 -0.630075D+01 -0.186497D-01
      6  -0.381370D+01  0.696405D+01 -0.455881D+01 -0.434710D+01  0.223854D+01
               101           102           103           104           105 
      1   0.345100D+01  0.997949D+01  0.307257D+01 -0.622722D+01 -0.930332D+01
      2  -0.213155D+01 -0.207084D+01 -0.749897D+00  0.567419D+01  0.372147D+01
      3  -0.131945D+01 -0.790865D+01 -0.232267D+01  0.553027D+00  0.558185D+01
      4  -0.882595D+00 -0.174014D+01  0.359119D+01  0.601629D+01  0.233306D+01
      5  -0.326963D+01 -0.380867D+01 -0.186394D+01  0.298976D+01  0.543549D+01
      6  -0.462064D+01 -0.584594D+01 -0.219152D+01  0.650384D+01  0.918741D+01
               106           107           108           109           110 
      1   0.109207D+02 -0.937814D+01 -0.170709D+02  0.497289D+02 -0.118398D+02
      2  -0.449060D+01  0.386293D+01 -0.122707D+01 -0.300874D+02  0.887457D+01
      3  -0.643014D+01  0.551522D+01  0.182980D+02 -0.196415D+02  0.296524D+01
      4   0.118774D+01  0.436167D+01  0.416889D+01 -0.637094D+01  0.114810D+02
      5   0.249522D+01  0.590107D+01  0.149665D+02  0.205719D+02 -0.645089D+01
      6  -0.245372D+01  0.982765D+01  0.149447D+02 -0.980264D+00  0.183595D+01
               111           112           113           114           115 
      1   0.138715D+02 -0.235384D+02  0.975777D+01 -0.785402D+01  0.152052D+02
      2  -0.114189D+02  0.152996D+02 -0.496591D+01  0.607482D+01 -0.122326D+02
      3  -0.245256D+01  0.823881D+01 -0.479185D+01  0.177920D+01 -0.297261D+01
      4  -0.335269D+01  0.107176D+02 -0.979398D+01  0.298667D+01 -0.346093D+01
      5   0.142951D+02 -0.119725D+02  0.486237D+01 -0.825069D+01  0.153078D+02
      6  -0.433391D+00  0.197857D+01 -0.356521D+01  0.236358D+01 -0.871808D+00
               116           117           118           119           120 
      1  -0.525327D+01  0.739284D+01  0.171601D+02  0.875439D+01 -0.278057D+01
      2   0.414292D+01 -0.851474D+01 -0.477251D+01  0.178799D+01 -0.388301D+00
      3   0.111035D+01  0.112191D+01 -0.123876D+02 -0.105424D+02  0.316887D+01
      4   0.260036D+01 -0.211239D+01  0.162486D+02  0.182759D+02 -0.665351D+01
      5  -0.416803D+01  0.124522D+02 -0.355151D+01 -0.562547D+01  0.607976D+01
      6   0.318607D+01  0.382208D+00 -0.235008D+01 -0.137021D+01  0.167550D+01
               121           122           123           124           125 
      1   0.114232D+02  0.512253D+01 -0.361700D+01 -0.839610D+01 -0.449157D+01
      2   0.257170D+01  0.144823D+02 -0.302307D+01  0.143345D+01 -0.377955D+01
      3  -0.139949D+02 -0.196049D+02  0.664007D+01  0.696265D+01  0.827112D+01
      4   0.238247D+02  0.337088D+02 -0.896100D+01 -0.123586D+02 -0.149847D+02
      5  -0.576147D+01 -0.773358D+01  0.862917D+01  0.700666D+01  0.870083D+01
      6  -0.227352D+01 -0.402082D+01  0.674097D+01  0.283114D+01  0.667183D+01
               126           127           128           129           130 
      1   0.618934D+00 -0.272561D+01  0.902471D+01 -0.151609D-01  0.124173D+02
      2   0.107902D+01  0.606235D+01 -0.138115D+02  0.298569D+01 -0.170781D+02
      3  -0.169795D+01 -0.333674D+01  0.478676D+01 -0.297053D+01  0.466073D+01
      4   0.870557D+01  0.367672D+01  0.500019D+00  0.538575D+01  0.222518D+01
      5  -0.915461D+01  0.211429D+01  0.147452D+01 -0.644191D+00 -0.928526D+00
      6  -0.571146D+01  0.645946D+01  0.337047D+01  0.876527D-01  0.449971D+01
               131           132           133           134           135 
      1   0.147821D+02 -0.483470D+01 -0.278873D+00 -0.402012D+01  0.146844D+02
      2  -0.280286D+02  0.115974D+02  0.339244D+01  0.167609D+02 -0.958726D+01
      3   0.132465D+02 -0.676273D+01 -0.311357D+01 -0.127407D+02 -0.509715D+01
      4  -0.164350D+02  0.564886D+01  0.490144D+01  0.669657D+01 -0.261924D+01
      5   0.415778D+01 -0.533769D+00  0.777831D+00 -0.298386D+01 -0.605479D+01
      6   0.137595D+02 -0.703201D+01 -0.959822D+00 -0.129693D+02 -0.261196D+02
               136           137           138           139           140 
      1   0.306884D+01  0.398993D+00  0.146315D+01 -0.362520D+01 -0.830351D+01
      2  -0.126306D+02  0.106089D+02 -0.302619D+01  0.141299D+02 -0.841225D+00
      3   0.956175D+01 -0.110079D+02  0.156304D+01 -0.105047D+02  0.914473D+01
      4   0.110476D+02 -0.207138D+02 -0.964345D+00 -0.188867D+02  0.135873D+02
      5   0.186267D+01  0.267505D+01  0.210661D+01  0.375883D+01 -0.636540D+00
      6  -0.324513D+01 -0.256032D+01 -0.206337D+01 -0.291443D+01 -0.380719D+01
               141           142           143           144           145 
      1   0.559351D+01  0.146943D+01  0.396265D+01  0.784800D+01 -0.886163D+00
      2  -0.137513D+01 -0.387660D+00 -0.539716D+01  0.111127D+02  0.671848D+01
      3  -0.421838D+01 -0.108177D+01  0.143451D+01 -0.189607D+02 -0.583231D+01
      4  -0.122328D+01 -0.579516D+00  0.319661D+01  0.140074D+00  0.822073D+01
      5  -0.306396D+01  0.268113D+01 -0.116109D+01 -0.899468D+01 -0.158164D+01
      6   0.548975D+01  0.122005D+00  0.401180D+01  0.161519D+02 -0.395339D+01
               146           147           148           149           150 
      1  -0.329167D+01  0.494018D-01 -0.477680D+01 -0.325181D+02  0.570059D+01
      2   0.101706D+02 -0.132670D+01  0.120987D+02  0.608719D+02 -0.104061D+02
      3  -0.687893D+01  0.127730D+01 -0.732187D+01 -0.283538D+02  0.470551D+01
      4   0.137635D+02 -0.341969D+01  0.124656D+02  0.232568D+02 -0.399204D+01
      5  -0.181309D+01  0.263061D+01 -0.152968D+01 -0.281499D+01  0.265615D+01
      6  -0.249349D+01  0.198893D+01 -0.274408D+01 -0.136839D+02  0.104560D+02
               151           152           153           154           155 
      1   0.108932D+01  0.106958D+02 -0.733339D+01  0.405210D+00 -0.208275D-01
      2  -0.323435D+01 -0.179514D+02  0.807853D+01 -0.235835D+01  0.715555D+00
      3   0.214504D+01  0.725557D+01 -0.745132D+00  0.195314D+01 -0.694728D+00
      4  -0.534653D+01 -0.742851D+01  0.415510D+01 -0.603480D+00  0.315484D+01
      5   0.252993D+01  0.359983D+01 -0.166362D+01  0.951270D+00  0.156704D+01
      6   0.310463D+01  0.138093D+02 -0.572077D+01  0.351034D+01 -0.870481D+00
               156           157           158           159           160 
      1   0.141147D+01 -0.136148D+01 -0.739749D+01 -0.539781D+01  0.132945D+01
      2  -0.144636D+01  0.204017D+01  0.876859D+01  0.392834D+01 -0.106411D+01
      3   0.348949D-01 -0.678688D+00 -0.137110D+01  0.146947D+01 -0.265347D+00
      4   0.360862D+01  0.207187D+01  0.278102D+01  0.989360D+00  0.537493D+01
      5   0.584241D+01  0.850302D+00  0.106955D+01  0.108697D+01  0.439209D+01
      6  -0.767886D+00  0.841620D-01  0.663264D+01  0.992520D+01  0.202071D+01
               161           162           163           164           165 
      1  -0.100205D+02 -0.192381D+02 -0.143371D+01 -0.599628D+00  0.165342D+01
      2   0.729042D+01  0.836968D+00 -0.464823D+00 -0.947276D+00  0.158216D+00
      3   0.273010D+01  0.184011D+02  0.189853D+01  0.154690D+01 -0.181163D+01
      4   0.238302D+01  0.345463D+01 -0.210472D+00  0.384308D+01 -0.113033D+01
      5   0.321093D+01  0.848401D+01  0.819358D+00 -0.125940D+00  0.490766D+01
      6   0.168785D+02  0.335480D+02 -0.107412D+01  0.328415D+00  0.223280D+01
               166           167           168           169           170 
      1   0.109176D+01 -0.590062D+00 -0.511550D+00  0.198814D+01  0.371017D+01
      2  -0.272066D+01 -0.928959D+00 -0.376605D+01 -0.262133D+01 -0.381820D+01
      3   0.162890D+01  0.151902D+01  0.427760D+01  0.633186D+00  0.108025D+00
      4   0.301741D+01 -0.111212D+01  0.119542D+01 -0.287998D+01  0.267582D+01
      5   0.304523D+00  0.105228D+01  0.298255D+01  0.531226D+01 -0.682490D+00
      6   0.283259D+00 -0.962301D+00  0.250127D+01 -0.176396D+01  0.532125D+01
               171           172           173           174           175 
      1  -0.148063D+02  0.108218D+02 -0.181175D+01 -0.336889D+00 -0.125428D+00
      2  -0.149839D+02  0.453641D+01 -0.110348D+02  0.559804D+00 -0.114626D+02
      3   0.297901D+02 -0.153582D+02  0.128466D+02 -0.222915D+00  0.115880D+02
      4  -0.261760D+01 -0.266525D+02  0.250698D+02 -0.129142D+01  0.239623D+02
      5   0.118054D+02  0.239442D+01 -0.224162D+01  0.439015D+01 -0.211770D+01
      6  -0.182852D+02 -0.762865D+00  0.196375D+01 -0.334664D+01  0.218025D+01
               176           177           178           179           180 
      1  -0.680408D+01  0.394018D+00 -0.146030D+01 -0.364238D+00 -0.184894D+01
      2   0.254290D+02 -0.289053D+00  0.195870D+00  0.182504D+01  0.104720D+01
      3  -0.186249D+02 -0.104965D+00  0.126443D+01 -0.146080D+01  0.801745D+00
      4  -0.278314D+02  0.128590D+01  0.218009D+01 -0.185544D+01 -0.467833D+01
      5   0.128010D+01 -0.276325D+01  0.346709D+01 -0.346897D+01  0.496672D+00
      6  -0.200618D+01  0.490282D+01 -0.405919D+01  0.542830D+01 -0.885349D+00
 Leave Link  716 at Thu Jul  8 22:19:09 2021, MaxMem= 10737418240 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.920085D+02  0.338643D+00 -0.194278D+01
      2   0.338643D+00  0.907925D+02  0.707771D+00
      3  -0.194278D+01  0.707771D+00  0.757835D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.398711D+01  0.268665D+01 -0.809506D+01
      2  -0.141134D+02  0.490829D+01 -0.143814D+02
      3   0.161378D+02  0.884345D+01  0.126942D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.430045D+02 -0.205956D+02 -0.202991D+02
      2   0.259559D+02  0.273169D+02  0.292742D+01
      3   0.170486D+02 -0.672131D+01  0.173717D+02
      4   0.687439D+01 -0.607874D+01  0.139756D+02
      5  -0.179465D+02  0.983341D+01 -0.264406D+02
      6   0.100205D+02 -0.447942D+01  0.163671D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.478754D+01 -0.232468D+01 -0.167674D+01 -0.873258D+00  0.280233D+01
      2  -0.232468D+01  0.289798D+00 -0.279516D+00  0.280233D+01  0.242268D+01
      3  -0.167674D+01 -0.279516D+00 -0.258533D+01 -0.521377D+00 -0.183678D+01
                 6             7             8             9            10 
      1  -0.521377D+00 -0.233388D+01 -0.470228D+00 -0.350704D+01  0.847910D+00
      2  -0.183678D+01 -0.470228D+00 -0.105814D+01 -0.711951D+00  0.302618D+01
      3  -0.875449D-01 -0.350704D+01 -0.711951D+00  0.488901D+01 -0.628750D-01
                11            12            13            14            15 
      1   0.302618D+01 -0.628750D-01  0.134850D+01 -0.460331D+01 -0.733033D+00
      2  -0.387185D+01 -0.141780D+01 -0.460331D+01 -0.355661D+00  0.355699D+01
      3  -0.141780D+01  0.159037D+01 -0.733033D+00  0.355699D+01  0.698332D+00
                16            17            18            19            20 
      1   0.842965D+00 -0.190933D+01  0.796322D+00  0.188384D+01 -0.281331D+01
      2  -0.190933D+01  0.300298D+01  0.166845D+01 -0.281331D+01  0.337438D+01
      3   0.796322D+00  0.166845D+01 -0.525829D+00  0.164057D+01 -0.765180D+00
                21            22            23            24            25 
      1   0.164057D+01 -0.314158D+01  0.322041D+01 -0.128375D+01  0.867026D+00
      2  -0.765180D+00  0.322041D+01  0.577969D+01 -0.220059D+01 -0.690635D+00
      3  -0.203834D+01 -0.128375D+01 -0.220059D+01 -0.186331D+01 -0.152588D+01
                26            27            28            29            30 
      1  -0.690635D+00 -0.152588D+01 -0.220389D+01  0.267853D+01 -0.128507D+01
      2  -0.112247D+01 -0.194287D+01  0.267853D+01 -0.185669D+01  0.315571D+01
      3  -0.194287D+01 -0.336201D+01 -0.128507D+01  0.315571D+01  0.274996D+01
                31            32            33            34            35 
      1   0.386880D+01 -0.207222D+01  0.288181D+01 -0.141176D+01  0.385728D+01
      2  -0.207222D+01 -0.263869D+01  0.103587D+01  0.385728D+01  0.196386D+01
      3   0.288181D+01  0.103587D+01 -0.647225D+00  0.296557D+01 -0.104898D+01
                36            37            38            39            40 
      1   0.296557D+01  0.501204D+01 -0.446277D+01 -0.152405D+01 -0.394072D+01
      2  -0.104898D+01 -0.446277D+01  0.386063D+01  0.819810D+00  0.519653D+01
      3  -0.393774D+01 -0.152405D+01  0.819810D+00  0.472786D+00  0.113983D+01
                41            42            43            44            45 
      1   0.519653D+01  0.113983D+01 -0.201202D+01  0.155315D+01  0.189065D+01
      2  -0.100417D+02 -0.316926D+01  0.155315D+01 -0.314147D+01 -0.374954D+01
      3  -0.316926D+01 -0.191892D+01  0.189065D+01 -0.374954D+01 -0.264830D+01
                46            47            48            49            50 
      1   0.204608D+01  0.716264D+00 -0.139732D+01  0.181187D+00  0.161540D+00
      2   0.716264D+00  0.539677D+00 -0.223540D+00  0.161540D+00  0.132206D+00
      3  -0.139732D+01 -0.223540D+00  0.140261D+01  0.136727D+00 -0.799788D+00
                51            52            53            54            55 
      1   0.136727D+00 -0.263796D+01 -0.249505D+00  0.301789D+01  0.865447D+01
      2  -0.799788D+00 -0.249505D+00 -0.173395D+01  0.105042D+01  0.192731D+01
      3   0.341188D+00  0.301789D+01  0.105042D+01 -0.697026D+01  0.224164D+01
                56            57            58            59            60 
      1   0.192731D+01  0.224164D+01  0.614864D+00  0.916329D+00  0.288968D+00
      2   0.178196D+01  0.387724D+00  0.916329D+00  0.794806D+00  0.783406D+00
      3   0.387724D+00  0.176565D+01  0.288968D+00  0.783406D+00  0.306942D+00
                61            62            63            64            65 
      1   0.390731D+01  0.658119D+00  0.233223D+01  0.531934D+00  0.623312D+00
      2   0.658119D+00  0.147090D+01  0.801054D+00  0.623312D+00 -0.139375D-01
      3   0.233223D+01  0.801054D+00  0.142141D+01  0.100540D+01  0.147513D+00
                66            67            68            69            70 
      1   0.100540D+01  0.158691D+01 -0.219054D+00  0.154778D+00  0.148937D+01
      2   0.147513D+00 -0.219054D+00  0.751011D+00  0.123141D+01  0.213258D+00
      3   0.185959D+01  0.154778D+00  0.123141D+01  0.184985D+01  0.108953D+01
                71            72            73            74            75 
      1   0.213258D+00  0.108953D+01 -0.108737D+01 -0.107723D+01  0.870586D-01
      2   0.123995D+01  0.854308D+00 -0.107723D+01 -0.135155D+01  0.470124D+00
      3   0.854308D+00  0.810402D+01  0.870586D-01  0.470124D+00 -0.247355D+00
                76            77            78            79            80 
      1  -0.173876D+01 -0.151472D+01  0.428121D+00 -0.286191D-01  0.225801D+00
      2  -0.151472D+01 -0.820520D+01  0.238696D+01  0.225801D+00  0.751724D+00
      3   0.428121D+00  0.238696D+01 -0.173011D+01 -0.108501D+00 -0.108758D+01
                81            82            83            84            85 
      1  -0.108501D+00 -0.351136D+01  0.386442D+00  0.240895D+01  0.743899D+00
      2  -0.108758D+01  0.386442D+00 -0.838430D+00 -0.100307D+01 -0.763681D+00
      3   0.135125D+01  0.240895D+01 -0.100307D+01 -0.296710D+01 -0.107355D+01
                86            87            88            89            90 
      1  -0.763681D+00 -0.107355D+01  0.307010D+01 -0.988612D+00 -0.295799D+01
      2   0.141628D+01  0.117166D+01 -0.988612D+00  0.123130D+01  0.118429D+01
      3   0.117166D+01  0.156397D+01 -0.295799D+01  0.118429D+01  0.572926D+01
                91            92            93            94            95 
      1   0.281286D+01 -0.201868D+01  0.114336D+01 -0.321764D+01  0.258048D+01
      2  -0.201868D+01  0.170101D+01 -0.387282D+01  0.258048D+01  0.276676D+01
      3   0.114336D+01 -0.387282D+01 -0.164281D+01 -0.448569D+01 -0.133287D+01
                96            97            98            99           100 
      1  -0.448569D+01  0.384283D+00 -0.466336D+01 -0.114660D+01  0.144252D+01
      2  -0.133287D+01 -0.466336D+01 -0.214808D+01  0.162445D+01 -0.123211D+00
      3   0.978460D+00 -0.114660D+01  0.162445D+01  0.255010D+01 -0.959546D+00
               101           102           103           104           105 
      1  -0.123211D+00 -0.959546D+00 -0.458978D+00  0.584693D-04  0.611903D+00
      2   0.103289D+01  0.116277D+01  0.584693D-04 -0.185980D+01 -0.123795D+01
      3   0.116277D+01  0.222210D+01  0.611903D+00 -0.123795D+01 -0.165732D+01
               106           107           108           109           110 
      1  -0.166048D+01  0.471940D+00  0.606725D+00 -0.721248D+01  0.160139D+01
      2   0.471940D+00 -0.164744D+01 -0.193588D+01  0.160139D+01 -0.176278D+01
      3   0.606725D+00 -0.193588D+01 -0.496684D+01 -0.239591D+01  0.896513D+00
               111           112           113           114           115 
      1  -0.239591D+01  0.391489D+01 -0.179620D+01  0.168544D+01 -0.233948D+01
      2   0.896513D+00 -0.179620D+01  0.164034D+01 -0.641447D+00  0.954598D+00
      3  -0.156065D+01  0.168544D+01 -0.641447D+00  0.119496D+01 -0.184649D+01
               116           117           118           119           120 
      1   0.954598D+00 -0.184649D+01 -0.310110D+01 -0.199068D+01  0.655139D+00
      2  -0.540421D+00  0.424282D+00 -0.199068D+01 -0.234079D+01  0.946768D+00
      3   0.424282D+00 -0.184292D+01  0.655139D+00  0.946768D+00 -0.679751D+00
               121           122           123           124           125 
      1  -0.273592D+01 -0.331028D+01  0.103407D+01  0.201565D+01  0.184075D+01
      2  -0.331028D+01 -0.580933D+01  0.144603D+01  0.184075D+01  0.270135D+01
      3   0.103407D+01  0.144603D+01 -0.157046D+01 -0.834538D+00 -0.159321D+01
               126           127           128           129           130 
      1  -0.834538D+00  0.225548D+01  0.221873D+01  0.170402D+01  0.262345D+01
      2  -0.159321D+01  0.221873D+01 -0.263460D+01  0.564938D+00 -0.321190D+01
      3   0.147991D+01  0.170402D+01  0.564938D+00  0.855503D-01  0.702130D+00
               131           132           133           134           135 
      1  -0.321190D+01  0.702130D+00  0.174708D+01  0.960518D+00  0.177739D-01
      2  -0.446705D+01  0.206575D+01  0.960518D+00  0.339625D+01 -0.265279D+01
      3   0.206575D+01 -0.148614D+01  0.177739D-01 -0.265279D+01 -0.643584D+01
               136           137           138           139           140 
      1   0.475310D-01 -0.386582D+01 -0.801721D+00 -0.383143D+01  0.402453D+01
      2  -0.386582D+01  0.377447D+01 -0.113885D+01  0.402453D+01  0.506361D+00
      3  -0.801721D+00 -0.113885D+01 -0.227334D+00 -0.975945D+00 -0.108335D+01
               141           142           143           144           145 
      1  -0.975945D+00 -0.134323D+01 -0.747436D+00 -0.268293D+00  0.112095D+01
      2  -0.108335D+01 -0.747436D+00 -0.246540D+01  0.147601D+01  0.158033D+01
      3   0.191168D+01 -0.268293D+00  0.147601D+01  0.641714D+01 -0.692034D+00
               146           147           148           149           150 
      1   0.158033D+01 -0.692034D+00  0.169326D+01  0.232426D+01 -0.372180D+00
      2   0.207809D+01 -0.368110D+00  0.232426D+01  0.102222D+02 -0.177446D+01
      3  -0.368110D+00  0.234184D+00 -0.372180D+00 -0.177446D+01  0.135519D+01
               151           152           153           154           155 
      1  -0.112336D+01 -0.773399D+00  0.466181D+00 -0.264792D+00  0.956104D-01
      2  -0.773399D+00 -0.339059D+01  0.197908D+01  0.956104D-01  0.222121D+00
      3   0.466181D+00  0.197908D+01 -0.568912D+00  0.770702D+00 -0.989195D-01
               156           157           158           159           160 
      1   0.770702D+00  0.358738D-01  0.376275D+00  0.196661D-01  0.158665D+01
      2  -0.989195D-01  0.376275D+00  0.174510D+01  0.132032D+01  0.118327D+00
      3  -0.110721D+00  0.196661D-01  0.132032D+01  0.127527D+01  0.429172D+00
               161           162           163           164           165 
      1   0.118327D+00  0.429172D+00  0.392672D+00  0.416922D+00 -0.720401D+00
      2   0.218208D+01  0.269910D+01  0.416922D+00 -0.199501D+00  0.148839D+00
      3   0.269910D+01  0.754271D+01 -0.720401D+00  0.148839D+00  0.406210D+00
               166           167           168           169           170 
      1  -0.173940D+00 -0.546078D+00  0.456828D-02 -0.168571D+01 -0.258278D+00
      2  -0.546078D+00 -0.457592D+00 -0.777654D+00 -0.258278D+00 -0.139453D+01
      3   0.456828D-02 -0.777654D+00 -0.111700D+01 -0.682219D+00  0.257529D+00
               171           172           173           174           175 
      1  -0.682219D+00 -0.487975D+01  0.340535D+01 -0.141171D+00  0.350059D+01
      2   0.257529D+00  0.340535D+01 -0.378492D+01  0.467089D+00 -0.356531D+01
      3  -0.772274D+01 -0.141171D+00  0.467089D+00 -0.729610D+00  0.357506D+00
               176           177           178           179           180 
      1  -0.356531D+01  0.357506D+00  0.666068D+00 -0.102955D+00 -0.734483D+00
      2   0.565765D+01 -0.144254D+00 -0.102955D+00  0.702101D+00  0.703829D+00
      3  -0.144254D+00  0.602180D+00 -0.734483D+00  0.703829D+00 -0.503411D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.162770D+01  0.400973D+00  0.529134D+00 -0.968896D+00 -0.456976D+00
      2  -0.569113D+01 -0.111046D+01 -0.626614D+01  0.826471D+00 -0.262370D+01
      3   0.534326D+01 -0.919903D+01 -0.346050D+01 -0.475994D+01 -0.289239D+01
                 6             7             8             9            10 
      1  -0.340208D+01  0.120446D+01  0.498804D+01 -0.325570D+01  0.430835D+01
      2   0.171063D+01 -0.122278D+02 -0.317315D+01  0.884500D+01 -0.155158D+02
      3   0.515970D+01 -0.456282D+01  0.198582D+01 -0.115893D+00 -0.578419D+01
                11            12            13            14            15 
      1   0.411901D+01 -0.205315D+01  0.392353D+01 -0.104943D+01  0.669064D+01
      2  -0.722948D+01  0.385137D+01 -0.439201D+01  0.712176D+01 -0.229257D+01
      3  -0.624010D+01  0.298596D+01  0.134014D+01  0.339189D+01 -0.853039D+01
                16            17            18            19            20 
      1   0.743722D-01  0.139568D+02  0.777568D+00 -0.393418D+01  0.206884D+01
      2  -0.122115D+02 -0.400171D+01  0.103161D+02 -0.424434D+01  0.662103D+01
      3  -0.192053D+01 -0.947241D+01  0.461772D+00  0.200807D+01  0.118190D+01
                21            22            23            24            25 
      1  -0.410116D+01  0.253089D+01  0.440131D+01 -0.778417D+01 -0.435852D+01
      2   0.238108D+01  0.728097D+01 -0.497953D+01  0.448128D+01 -0.877789D+01
      3  -0.239004D+01  0.633944D+01 -0.679658D+01  0.274465D+01 -0.269226D+01
                26            27            28            29            30 
      1  -0.281830D+01 -0.625860D+01  0.303033D+01 -0.982421D+00  0.142360D+00
      2   0.502224D+01  0.353070D+00  0.865706D+01 -0.858104D+01  0.675785D+00
      3   0.316455D+01  0.161407D+01  0.472002D+01 -0.688354D+01  0.705060D+01
                31            32            33            34            35 
      1  -0.177616D+01  0.110494D+01 -0.132539D+01  0.165984D+01  0.587876D+01
      2  -0.125572D+02 -0.126777D+01  0.165166D+01 -0.180108D+01 -0.125462D+01
      3  -0.267637D+00 -0.449595D+01  0.241771D+01  0.922019D+01  0.237782D+01
                36            37            38            39            40 
      1   0.729531D+00 -0.341750D+01 -0.180615D+01  0.397399D+01  0.134452D+01
      2   0.271095D+01  0.145895D+01  0.389841D+01  0.444482D+01  0.337534D+01
      3  -0.287877D+01 -0.585778D+00 -0.306027D+01 -0.299708D+00  0.674143D+01
                41            42            43            44            45 
      1  -0.323762D+00 -0.979189D+01  0.157488D+01 -0.255916D+01 -0.422919D+01
      2  -0.709095D+01 -0.458178D+01  0.366438D+01 -0.194356D+01 -0.835436D+01
      3   0.117816D+02  0.301403D+01  0.442293D+01  0.591081D+01  0.226131D+01
                46            47            48            49            50 
      1   0.120049D+01  0.292059D+00 -0.110612D+01  0.503908D+00 -0.741009D+00
      2  -0.240815D+01 -0.951259D+00  0.412130D+01  0.576231D-01 -0.622126D+00
      3  -0.121720D+00 -0.143018D+01 -0.567170D+00  0.179490D+01  0.971705D+00
                51            52            53            54            55 
      1  -0.104120D+01 -0.258404D+01  0.170098D+01  0.544562D+01 -0.306453D+01
      2   0.152288D+00  0.428269D+01  0.345146D+01 -0.154696D+02  0.918101D+01
      3   0.817808D+00 -0.702286D+00  0.455742D+01 -0.419898D+00  0.556132D+01
                56            57            58            59            60 
      1  -0.851280D+00 -0.158027D+01  0.314437D+00  0.766171D+00 -0.105777D+01
      2   0.246874D+01  0.631639D+01  0.269662D+00  0.912623D+00  0.524991D+00
      3  -0.325367D+01  0.134714D+01  0.511964D+00 -0.119956D+01 -0.172233D+01
                61            62            63            64            65 
      1  -0.254834D+01 -0.284006D-01 -0.118713D+01  0.130072D+01  0.126344D+01
      2   0.600926D+01  0.297408D+01  0.403708D+01  0.180299D+00 -0.130752D+01
      3   0.334513D+01 -0.315128D+01  0.775143D+00 -0.958470D-01 -0.230811D+01
                66            67            68            69            70 
      1   0.299022D+01 -0.391547D+00  0.349161D+01  0.332886D+01  0.186518D+01
      2  -0.233633D+01 -0.166236D+01 -0.150684D+00 -0.127757D+01 -0.352888D+01
      3  -0.146210D+01 -0.995863D-01  0.108084D+00 -0.689646D+00 -0.100538D+01
                71            72            73            74            75 
      1   0.512256D+01  0.914866D+01 -0.122631D+01 -0.202276D+01 -0.181063D+00
      2  -0.593136D+00 -0.385351D+01  0.901948D+00  0.117956D+01  0.135882D+01
      3  -0.691742D+00 -0.221180D+01  0.116559D+01 -0.666676D+00  0.810722D+00
                76            77            78            79            80 
      1  -0.158517D+01 -0.754125D+01 -0.180642D+01  0.770995D+00  0.119376D+01
      2   0.310726D+01  0.134134D+01  0.136849D-02 -0.123044D+01 -0.238860D+00
      3   0.562935D+01  0.801492D+00 -0.264357D+00  0.324576D+00  0.369790D+00
                81            82            83            84            85 
      1  -0.246831D-01 -0.868302D-02 -0.149921D+01 -0.433147D-01 -0.919234D-01
      2   0.544665D-02 -0.106816D+00  0.117866D+01  0.377199D+01  0.722648D-01
      3   0.941406D-01  0.182807D+00 -0.313792D+01 -0.183341D+01  0.372488D-01
                86            87            88            89            90 
      1   0.110419D+01 -0.826291D+00  0.150622D+00  0.258935D+01 -0.398339D+00
      2  -0.284973D+00 -0.878693D+00 -0.247253D+01 -0.278414D+00 -0.586120D+01
      3   0.331501D+01  0.191136D+01 -0.204164D+01  0.326934D+01  0.218714D+01
                91            92            93            94            95 
      1   0.172849D+01 -0.604303D+01  0.174137D+01 -0.809967D+01 -0.420910D+01
      2  -0.136587D+01  0.110508D+02  0.793913D+01  0.125124D+02  0.501978D+01
      3  -0.924446D+01  0.383852D+01 -0.124754D+02  0.120608D+02  0.495226D+01
                96            97            98            99           100 
      1   0.258275D+00  0.296709D+01  0.448719D+01  0.156363D+01 -0.799549D+00
      2  -0.604969D+01  0.868691D+00 -0.685732D+01 -0.763963D+01  0.531637D+01
      3   0.110162D+01 -0.132566D+02 -0.774649D+00  0.479221D+01 -0.298621D+01
               101           102           103           104           105 
      1  -0.538518D+00  0.177416D+01  0.556149D+00  0.519934D+00 -0.223748D+01
      2  -0.293365D+01 -0.550415D+01 -0.284214D+01  0.331061D+01  0.481960D+01
      3   0.186776D+01  0.391500D+01  0.220882D+01 -0.420179D+01 -0.388878D+01
               106           107           108           109           110 
      1   0.635508D+00  0.132752D+01 -0.439139D+01 -0.350588D+01  0.297154D+01
      2  -0.574560D+01  0.519603D+01  0.127434D+02  0.177196D+01 -0.127516D+01
      3   0.398877D+01 -0.433679D+01 -0.603243D+01  0.922308D+01 -0.851901D+01
               111           112           113           114           115 
      1  -0.149183D+01  0.227655D+01 -0.224108D+01  0.150707D+00 -0.232635D+01
      2   0.522388D+01 -0.239520D+01  0.794104D+00 -0.314943D+01  0.146932D+01
      3   0.453409D+01 -0.592160D+01  0.699725D+01 -0.259558D+01  0.465208D+01
               116           117           118           119           120 
      1   0.207214D+01 -0.147575D+01  0.181635D+01  0.246929D+01 -0.206726D+01
      2  -0.520419D+00  0.476714D+01 -0.227845D+01 -0.342059D+01  0.312152D+01
      3  -0.310792D+01  0.250473D+01 -0.176889D+01 -0.578540D+01  0.200526D+01
               121           122           123           124           125 
      1   0.289341D+01  0.433877D+01 -0.513792D+01 -0.150706D+01 -0.188655D+01
      2  -0.335102D+01 -0.485842D+01  0.562320D+01  0.103462D+01  0.433653D+01
      3  -0.321448D+01 -0.127991D+02  0.295727D+01  0.182908D+01  0.565763D+01
               126           127           128           129           130 
      1   0.335461D+01 -0.272260D+01 -0.297742D+01 -0.178447D+00 -0.274108D+01
      2  -0.456082D+01  0.167708D+01  0.244512D+01  0.183590D+01  0.696337D+00
      3  -0.346687D+01  0.465761D+01  0.722656D+01  0.342287D+01  0.127435D+02
               131           132           133           134           135 
      1  -0.798198D+01  0.213299D+01  0.104442D+01  0.103620D+02  0.134381D+02
      2   0.245746D+01 -0.472346D+00 -0.412160D+01 -0.177031D+01 -0.383322D+01
      3  -0.563589D+01 -0.564508D+00  0.306342D+01 -0.117395D+01  0.992413D+00
               136           137           138           139           140 
      1   0.397138D+01  0.399891D-01  0.125822D+01 -0.808314D+00  0.442506D+01
      2   0.171270D+01 -0.200204D+01  0.204757D+01 -0.166884D+01  0.388837D+01
      3  -0.877250D+01 -0.644260D+01 -0.359251D+01 -0.250348D+00  0.881027D+01
               141           142           143           144           145 
      1  -0.508182D+01  0.784053D+00  0.113944D+01 -0.108963D+02  0.183919D+01
      2  -0.246887D+01 -0.295672D+01 -0.270591D+01 -0.518083D+01 -0.249358D+00
      3  -0.236132D+01 -0.351840D+01 -0.386267D+01  0.170840D+01  0.189736D+01
               146           147           148           149           150 
      1   0.161971D+01 -0.132901D+01  0.141442D+01  0.601491D+01 -0.619680D+01
      2  -0.960741D+00  0.112381D+01  0.405420D-01 -0.206011D+01  0.156626D+01
      3   0.136448D+00 -0.127346D+01  0.539909D+01 -0.248824D+01  0.286662D+00
               151           152           153           154           155 
      1  -0.108871D+01 -0.405934D+01  0.198633D+01 -0.180459D+01  0.163279D+00
      2  -0.933309D+00  0.144916D+01 -0.397965D+00  0.530464D+00 -0.473756D-01
      3  -0.341349D+01  0.104288D+01 -0.226642D+00 -0.108689D+01 -0.142602D+01
               156           157           158           159           160 
      1   0.508402D+00  0.134963D+00 -0.178605D+01 -0.302030D+01 -0.539425D+00
      2   0.882268D+00 -0.425307D+00  0.678076D+00  0.871022D+00 -0.302989D+01
      3   0.163153D+01  0.256753D+00  0.556960D-01 -0.669091D+00  0.428133D+01
               161           162           163           164           165 
      1  -0.150333D+01 -0.163194D+02  0.117801D+01 -0.256984D-01 -0.923835D+00
      2   0.147924D+01  0.500153D+01  0.123953D+01  0.138362D+00  0.250535D+00
      3  -0.116247D+01 -0.603781D+00  0.115912D+01 -0.260119D+00 -0.118192D+01
               166           167           168           169           170 
      1   0.737828D+00  0.205481D+01  0.114737D+01  0.101316D+01  0.380051D+01
      2  -0.705077D+00 -0.143921D+00  0.137608D+01 -0.404080D+01 -0.260592D+00
      3   0.428659D+00 -0.165844D+01 -0.634040D+00 -0.311369D+01 -0.156894D+01
               171           172           173           174           175 
      1   0.116852D+02 -0.151719D+01  0.133836D+01  0.213760D+01  0.801896D+00
      2   0.719603D+01 -0.173724D+01  0.119272D+01  0.265540D+01  0.176028D+01
      3  -0.773548D+00 -0.564146D+01 -0.104227D+01  0.478997D+00  0.503325D+01
               176           177           178           179           180 
      1  -0.224511D+01 -0.289426D+01  0.137756D+01 -0.360198D+00  0.661313D+00
      2  -0.144193D+01 -0.160742D+01 -0.262720D+00 -0.479879D+00  0.146592D+00
      3   0.115189D+01  0.538019D+00  0.109960D+01  0.966757D+00 -0.661699D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.216597D+02 -0.143457D+02 -0.942368D+01 -0.887619D+00  0.308509D+01
      2   0.139122D+02  0.139482D+02  0.214383D+01  0.388311D+01  0.499403D+01
      3   0.774751D+01  0.397528D+00  0.727985D+01 -0.299549D+01 -0.807912D+01
      4  -0.129435D+02 -0.653213D+01 -0.584375D+01  0.490015D+01  0.766856D+01
      5  -0.112626D+02 -0.267298D+01 -0.119206D+02 -0.476152D+00 -0.309703D+01
      6  -0.340796D+01  0.175053D-02 -0.929435D+00 -0.204708D+00 -0.115041D+01
                 6             7             8             9            10 
      1  -0.140702D+01 -0.124924D+02 -0.414609D+01 -0.101674D+02  0.989632D+00
      2   0.501957D+00  0.196417D+01 -0.266732D+01  0.165371D+02 -0.863735D+01
      3   0.905067D+00  0.105282D+02  0.681340D+01 -0.636976D+01  0.764772D+01
      4  -0.478366D+01 -0.911037D+01 -0.366246D+01 -0.817875D+01  0.130838D+02
      5   0.105444D+00 -0.162494D+02 -0.488650D+01  0.164749D+02  0.526803D+01
      6   0.100532D+01 -0.538812D+01 -0.742618D+00  0.102390D+02 -0.131049D+01
                11            12            13            14            15 
      1  -0.958368D+00 -0.479244D+01 -0.238854D+01 -0.189327D+01  0.250891D+01
      2   0.923734D+01 -0.330387D+00  0.672123D+01 -0.134587D+02 -0.441815D+01
      3  -0.827897D+01  0.512282D+01 -0.433270D+01  0.153520D+02  0.190924D+01
      4  -0.165082D+02 -0.245360D+01 -0.260661D+02  0.190414D+02  0.993048D+01
      5  -0.156273D+01  0.309310D+00 -0.558477D+01  0.587451D+01  0.396719D+01
      6   0.601820D+01  0.117063D+00  0.258206D+01 -0.134194D+02 -0.968290D+01
                16            17            18            19            20 
      1   0.449363D+01  0.406558D+00  0.419395D+01 -0.545489D+01  0.537988D+01
      2   0.541101D+00 -0.901318D+01 -0.933670D+01  0.255945D+01 -0.452890D+01
      3  -0.503473D+01  0.860662D+01  0.514275D+01  0.289544D+01 -0.850975D+00
      4  -0.993624D+01  0.163133D+02  0.575387D+01 -0.618963D+01  0.544865D+01
      5   0.442949D+01  0.176595D+01  0.756650D+01 -0.568959D+01  0.163923D+01
      6   0.726698D+00 -0.321869D+01 -0.460874D+01 -0.328258D+01  0.233936D+01
                21            22            23            24            25 
      1   0.490861D+01  0.103151D+02  0.138118D+02  0.478101D+01  0.969622D-01
      2   0.563781D+01 -0.883483D+01 -0.187427D+02  0.994558D+01  0.359188D+01
      3  -0.105464D+02 -0.148031D+01  0.493090D+01 -0.147266D+02 -0.368884D+01
      4   0.520264D+00  0.580887D+01 -0.650385D+01  0.893640D+00  0.243611D+01
      5   0.296569D+01  0.320000D+01  0.253891D+01 -0.246084D+01  0.260498D+01
      6   0.129975D+01  0.384435D+01  0.129060D+02 -0.807425D-02 -0.457901D-01
                26            27            28            29            30 
      1   0.500622D+01  0.109455D+02 -0.816581D+00 -0.613452D+01  0.509756D+01
      2   0.645273D+01  0.960176D+01  0.287579D+01 -0.392781D+00 -0.434910D+01
      3  -0.114589D+02 -0.205472D+02 -0.205921D+01  0.652730D+01 -0.748453D+00
      4  -0.725484D+00 -0.291450D+01 -0.175861D+01 -0.213847D+01 -0.995743D+01
      5  -0.231972D+01 -0.854954D+01  0.754735D+01 -0.109556D+02 -0.161872D+02
      6   0.275234D+01  0.677259D+00 -0.490337D+01 -0.372117D+01  0.129961D+01
                31            32            33            34            35 
      1  -0.886748D+01  0.339994D+01 -0.123415D+02 -0.967792D+00 -0.113081D+02
      2   0.225218D+01 -0.924981D+00  0.556391D+01 -0.445628D+01  0.606879D+01
      3   0.661530D+01 -0.247496D+01  0.677762D+01  0.542407D+01  0.523930D+01
      4  -0.624212D+01  0.602338D+01 -0.181376D+01 -0.100974D+02 -0.623721D+01
      5  -0.161611D+02 -0.279262D+01  0.512619D+01 -0.139542D+02  0.449094D+01
      6  -0.193409D+01 -0.194589D+01 -0.495122D+01  0.136914D+01 -0.213177D+01
                36            37            38            39            40 
      1  -0.114541D+02  0.197632D+02 -0.699569D+01 -0.285148D+01 -0.412367D+01
      2   0.757392D+01  0.475322D-01 -0.755082D+01  0.166168D+01 -0.105621D+02
      3   0.388017D+01 -0.198107D+02  0.145465D+02  0.118979D+01  0.146858D+02
      4   0.353654D+01 -0.301724D+02  0.310079D+02  0.630329D+01  0.353430D+02
      5   0.188319D+02 -0.622929D+01  0.356726D+01  0.854579D+01  0.574525D+01
      6  -0.691001D+01  0.572634D+01 -0.385238D+01 -0.547491D+01 -0.544476D+01
                41            42            43            44            45 
      1  -0.123693D+02 -0.564605D+01 -0.790613D+00 -0.548295D+01 -0.648315D+01
      2   0.387106D+02  0.706953D+01  0.315080D-01  0.855172D+01  0.337234D+01
      3  -0.263413D+02 -0.142347D+01  0.759105D+00 -0.306877D+01  0.311081D+01
      4  -0.467872D+02 -0.108264D+02  0.105482D+02 -0.133434D+02 -0.143953D+02
      5  -0.701673D+01 -0.958920D+01  0.109480D+02 -0.116624D+02 -0.123237D+02
      6   0.164102D+02  0.169148D+02 -0.759541D+01  0.190169D+02  0.133190D+02
                46            47            48            49            50 
      1   0.895894D+01  0.291280D+01 -0.447901D+01 -0.304333D+00 -0.201354D+01
      2  -0.838723D+01 -0.243392D+01  0.517852D+01  0.110466D+01  0.261056D+00
      3  -0.571705D+00 -0.478882D+00 -0.699504D+00 -0.800331D+00  0.175248D+01
      4   0.540684D+01  0.461802D+01 -0.280256D+01  0.377537D+01  0.143903D+01
      5  -0.783152D+01 -0.157291D+01  0.108912D+02  0.545141D+00 -0.370774D+01
      6  -0.305910D+01 -0.135706D+01  0.224992D+01 -0.233964D+01 -0.201991D+01
                51            52            53            54            55 
      1   0.178378D+01 -0.709477D+01  0.251586D+01 -0.249563D+00  0.488102D+02
      2  -0.211157D+01  0.108054D+02 -0.221781D+00 -0.188086D+02 -0.271737D+02
      3   0.327790D+00 -0.371068D+01 -0.229408D+01  0.190581D+02 -0.216365D+02
      4  -0.422591D+01 -0.424249D+01 -0.646811D+01  0.750946D+01  0.212263D+02
      5   0.639736D+00  0.170569D+02  0.483157D+01 -0.288413D+02  0.154513D+02
      6   0.626074D+01  0.527699D+01  0.593825D+01 -0.124772D+02  0.333634D+01
                56            57            58            59            60 
      1   0.990982D+01  0.118184D+02  0.476349D+00  0.324773D+01  0.114393D+01
      2  -0.464629D+01 -0.705934D+01  0.164023D+01  0.356176D+00  0.330639D+00
      3  -0.526352D+01 -0.475906D+01 -0.211657D+01 -0.360391D+01 -0.147457D+01
      4   0.135498D+02  0.499293D+01  0.979932D+01  0.546029D+01  0.368820D+01
      5   0.290280D+01  0.116717D+02  0.145949D+01  0.398123D+01  0.140286D+01
      6   0.120725D+01  0.304207D+01  0.130697D+01  0.929546D+00  0.251433D+01
                61            62            63            64            65 
      1   0.188685D+02  0.347340D+01  0.893683D+01  0.141393D+01 -0.780037D+00
      2  -0.120191D+02 -0.253998D+00 -0.853531D+01 -0.526634D+01  0.411785D+00
      3  -0.684945D+01 -0.321940D+01 -0.401513D+00  0.385241D+01  0.368251D+00
      4   0.882846D+01  0.716194D+01  0.677827D+01  0.106280D+00  0.126694D+01
      5   0.150347D+02  0.531139D+01  0.965717D+01  0.472539D+01  0.793197D+00
      6   0.441575D+01  0.319177D+01  0.183962D+01  0.303814D+00  0.106067D+01
                66            67            68            69            70 
      1  -0.463900D+01 -0.954629D+00 -0.411747D+01 -0.497010D+01 -0.221707D+01
      2  -0.478109D+01  0.943895D+00 -0.765613D+00 -0.580602D+01 -0.251562D+01
      3   0.942009D+01  0.107337D-01  0.488308D+01  0.107761D+02  0.473268D+01
      4  -0.531456D+00 -0.852882D+00  0.161078D+01  0.104425D+01 -0.194592D+01
      5   0.824821D+01  0.140278D+01  0.103629D+01  0.155350D+01  0.622779D+01
      6  -0.254498D+01  0.532248D+00  0.936812D+00  0.340380D+01 -0.794122D+00
                71            72            73            74            75 
      1  -0.154447D+01 -0.235216D+02  0.468139D+00 -0.120378D+01  0.534018D+00
      2  -0.372435D+01 -0.195330D+02  0.256679D+01  0.220863D+01 -0.330108D+00
      3   0.526882D+01  0.430546D+02 -0.303493D+01 -0.100484D+01 -0.203910D+00
      4   0.869035D+00  0.958137D+00  0.437880D+01  0.815173D+01 -0.208445D+01
      5   0.795978D+00  0.760771D+01 -0.231961D+01 -0.341141D+01  0.325397D+01
      6   0.474919D+01 -0.675953D+01 -0.253097D+01 -0.312922D+01  0.215388D+01
                76            77            78            79            80 
      1  -0.224126D+01 -0.214208D+02  0.806790D+01 -0.536457D+00  0.268826D+01
      2   0.425424D+01  0.312399D+02 -0.644607D+01  0.156521D+00 -0.757773D+00
      3  -0.201298D+01 -0.981917D+01 -0.162183D+01  0.379936D+00 -0.193049D+01
      4   0.775162D+01  0.810366D+01 -0.214673D+01 -0.105238D+01 -0.104735D+01
      5  -0.248026D+01 -0.265264D+01  0.191011D+01  0.188224D+01  0.209446D+01
      6  -0.354834D+01 -0.203325D+02  0.118707D+02  0.150924D+01  0.821214D+01
                81            82            83            84            85 
      1  -0.554844D+01  0.147946D+02 -0.958047D+00 -0.791625D+01 -0.187231D+01
      2   0.155891D+01 -0.127715D+02  0.164858D+01  0.964237D+01  0.252113D+01
      3   0.398953D+01 -0.202306D+01 -0.690531D+00 -0.172612D+01 -0.648812D+00
      4   0.171476D+01 -0.373521D+01  0.629000D+01  0.528291D+01  0.628826D+01
      5  -0.765930D+00 -0.168833D+02  0.544767D+01  0.185893D+02  0.601863D+01
      6  -0.512858D+01  0.381318D+01 -0.145435D+01 -0.245506D+01 -0.321537D+01
                86            87            88            89            90 
      1  -0.717481D+00  0.128076D+01 -0.737422D+01  0.392431D+00  0.140308D+01
      2  -0.693959D-01 -0.256099D+01  0.108726D+02 -0.212149D+01 -0.160156D+02
      3   0.786876D+00  0.128024D+01 -0.349840D+01  0.172906D+01  0.146125D+02
      4  -0.495095D+01 -0.549382D+01  0.411363D+01 -0.470401D+01 -0.690771D+01
      5  -0.626088D+01 -0.701029D+01  0.187820D+02 -0.596740D+01 -0.276368D+02
      6   0.370402D+01  0.773482D+01 -0.406975D+01  0.541844D+01  0.655972D+01
                91            92            93            94            95 
      1  -0.154009D+02  0.955978D+01 -0.161429D+02  0.160451D+02 -0.936294D+01
      2   0.104217D+02 -0.123601D+02  0.985458D+01 -0.176010D+02 -0.100499D+01
      3   0.497913D+01  0.280029D+01  0.628827D+01  0.155591D+01  0.103679D+02
      4   0.906914D+01 -0.885350D+01  0.168394D+02 -0.114862D+02 -0.149442D+02
      5  -0.828108D+01  0.203433D+02  0.361667D+01  0.255911D+02  0.786998D+01
      6   0.547230D+01  0.730350D+01  0.771442D+01  0.757611D+01  0.583898D+01
                96            97            98            99           100 
      1   0.241569D+02 -0.125577D+02  0.226862D+02  0.111760D+02 -0.532791D+01
      2  -0.758779D+01  0.113318D+02 -0.572107D+01 -0.477866D+01  0.151004D+01
      3  -0.165691D+02  0.122587D+01 -0.169652D+02 -0.639737D+01  0.381787D+01
      4   0.115279D+02  0.214397D+02  0.141983D+02 -0.245145D+01 -0.348942D+01
      5  -0.182336D+01  0.127598D+01 -0.306385D+01 -0.630075D+01 -0.186497D-01
      6  -0.381370D+01  0.696405D+01 -0.455881D+01 -0.434710D+01  0.223854D+01
               101           102           103           104           105 
      1   0.345100D+01  0.997949D+01  0.307257D+01 -0.622722D+01 -0.930332D+01
      2  -0.213155D+01 -0.207084D+01 -0.749897D+00  0.567419D+01  0.372147D+01
      3  -0.131945D+01 -0.790865D+01 -0.232267D+01  0.553027D+00  0.558185D+01
      4  -0.882595D+00 -0.174014D+01  0.359119D+01  0.601629D+01  0.233306D+01
      5  -0.326963D+01 -0.380867D+01 -0.186394D+01  0.298976D+01  0.543549D+01
      6  -0.462064D+01 -0.584594D+01 -0.219152D+01  0.650384D+01  0.918741D+01
               106           107           108           109           110 
      1   0.109207D+02 -0.937814D+01 -0.170709D+02  0.497289D+02 -0.118398D+02
      2  -0.449060D+01  0.386293D+01 -0.122707D+01 -0.300874D+02  0.887457D+01
      3  -0.643014D+01  0.551522D+01  0.182980D+02 -0.196415D+02  0.296524D+01
      4   0.118774D+01  0.436167D+01  0.416889D+01 -0.637094D+01  0.114810D+02
      5   0.249522D+01  0.590107D+01  0.149665D+02  0.205719D+02 -0.645089D+01
      6  -0.245372D+01  0.982765D+01  0.149447D+02 -0.980264D+00  0.183595D+01
               111           112           113           114           115 
      1   0.138715D+02 -0.235384D+02  0.975777D+01 -0.785402D+01  0.152052D+02
      2  -0.114189D+02  0.152996D+02 -0.496591D+01  0.607482D+01 -0.122326D+02
      3  -0.245256D+01  0.823881D+01 -0.479185D+01  0.177920D+01 -0.297261D+01
      4  -0.335269D+01  0.107176D+02 -0.979398D+01  0.298667D+01 -0.346093D+01
      5   0.142951D+02 -0.119725D+02  0.486237D+01 -0.825069D+01  0.153078D+02
      6  -0.433391D+00  0.197857D+01 -0.356521D+01  0.236358D+01 -0.871808D+00
               116           117           118           119           120 
      1  -0.525327D+01  0.739284D+01  0.171601D+02  0.875439D+01 -0.278057D+01
      2   0.414292D+01 -0.851474D+01 -0.477251D+01  0.178799D+01 -0.388301D+00
      3   0.111035D+01  0.112191D+01 -0.123876D+02 -0.105424D+02  0.316887D+01
      4   0.260036D+01 -0.211239D+01  0.162486D+02  0.182759D+02 -0.665351D+01
      5  -0.416803D+01  0.124522D+02 -0.355151D+01 -0.562547D+01  0.607976D+01
      6   0.318607D+01  0.382208D+00 -0.235008D+01 -0.137021D+01  0.167550D+01
               121           122           123           124           125 
      1   0.114232D+02  0.512253D+01 -0.361700D+01 -0.839610D+01 -0.449157D+01
      2   0.257170D+01  0.144823D+02 -0.302307D+01  0.143345D+01 -0.377955D+01
      3  -0.139949D+02 -0.196049D+02  0.664007D+01  0.696265D+01  0.827112D+01
      4   0.238247D+02  0.337088D+02 -0.896100D+01 -0.123586D+02 -0.149847D+02
      5  -0.576147D+01 -0.773358D+01  0.862917D+01  0.700666D+01  0.870083D+01
      6  -0.227352D+01 -0.402082D+01  0.674097D+01  0.283114D+01  0.667183D+01
               126           127           128           129           130 
      1   0.618934D+00 -0.272561D+01  0.902471D+01 -0.151609D-01  0.124173D+02
      2   0.107902D+01  0.606235D+01 -0.138115D+02  0.298569D+01 -0.170781D+02
      3  -0.169795D+01 -0.333674D+01  0.478676D+01 -0.297053D+01  0.466073D+01
      4   0.870557D+01  0.367672D+01  0.500019D+00  0.538575D+01  0.222518D+01
      5  -0.915461D+01  0.211429D+01  0.147452D+01 -0.644191D+00 -0.928526D+00
      6  -0.571146D+01  0.645946D+01  0.337047D+01  0.876527D-01  0.449971D+01
               131           132           133           134           135 
      1   0.147821D+02 -0.483470D+01 -0.278873D+00 -0.402012D+01  0.146844D+02
      2  -0.280286D+02  0.115974D+02  0.339244D+01  0.167609D+02 -0.958726D+01
      3   0.132465D+02 -0.676273D+01 -0.311357D+01 -0.127407D+02 -0.509715D+01
      4  -0.164350D+02  0.564886D+01  0.490144D+01  0.669657D+01 -0.261924D+01
      5   0.415778D+01 -0.533769D+00  0.777831D+00 -0.298386D+01 -0.605479D+01
      6   0.137595D+02 -0.703201D+01 -0.959822D+00 -0.129693D+02 -0.261196D+02
               136           137           138           139           140 
      1   0.306884D+01  0.398993D+00  0.146315D+01 -0.362520D+01 -0.830351D+01
      2  -0.126306D+02  0.106089D+02 -0.302619D+01  0.141299D+02 -0.841225D+00
      3   0.956175D+01 -0.110079D+02  0.156304D+01 -0.105047D+02  0.914473D+01
      4   0.110476D+02 -0.207138D+02 -0.964345D+00 -0.188867D+02  0.135873D+02
      5   0.186267D+01  0.267505D+01  0.210661D+01  0.375883D+01 -0.636540D+00
      6  -0.324513D+01 -0.256032D+01 -0.206337D+01 -0.291443D+01 -0.380719D+01
               141           142           143           144           145 
      1   0.559351D+01  0.146943D+01  0.396265D+01  0.784800D+01 -0.886163D+00
      2  -0.137513D+01 -0.387660D+00 -0.539716D+01  0.111127D+02  0.671848D+01
      3  -0.421838D+01 -0.108177D+01  0.143451D+01 -0.189607D+02 -0.583231D+01
      4  -0.122328D+01 -0.579516D+00  0.319661D+01  0.140074D+00  0.822073D+01
      5  -0.306396D+01  0.268113D+01 -0.116109D+01 -0.899468D+01 -0.158164D+01
      6   0.548975D+01  0.122005D+00  0.401180D+01  0.161519D+02 -0.395339D+01
               146           147           148           149           150 
      1  -0.329167D+01  0.494018D-01 -0.477680D+01 -0.325181D+02  0.570059D+01
      2   0.101706D+02 -0.132670D+01  0.120987D+02  0.608719D+02 -0.104061D+02
      3  -0.687893D+01  0.127730D+01 -0.732187D+01 -0.283538D+02  0.470551D+01
      4   0.137635D+02 -0.341969D+01  0.124656D+02  0.232568D+02 -0.399204D+01
      5  -0.181309D+01  0.263061D+01 -0.152968D+01 -0.281499D+01  0.265615D+01
      6  -0.249349D+01  0.198893D+01 -0.274408D+01 -0.136839D+02  0.104560D+02
               151           152           153           154           155 
      1   0.108932D+01  0.106958D+02 -0.733339D+01  0.405210D+00 -0.208275D-01
      2  -0.323435D+01 -0.179514D+02  0.807853D+01 -0.235835D+01  0.715555D+00
      3   0.214504D+01  0.725557D+01 -0.745132D+00  0.195314D+01 -0.694728D+00
      4  -0.534653D+01 -0.742851D+01  0.415510D+01 -0.603480D+00  0.315484D+01
      5   0.252993D+01  0.359983D+01 -0.166362D+01  0.951270D+00  0.156704D+01
      6   0.310463D+01  0.138093D+02 -0.572077D+01  0.351034D+01 -0.870481D+00
               156           157           158           159           160 
      1   0.141147D+01 -0.136148D+01 -0.739749D+01 -0.539781D+01  0.132945D+01
      2  -0.144636D+01  0.204017D+01  0.876859D+01  0.392834D+01 -0.106411D+01
      3   0.348949D-01 -0.678688D+00 -0.137110D+01  0.146947D+01 -0.265347D+00
      4   0.360862D+01  0.207187D+01  0.278102D+01  0.989360D+00  0.537493D+01
      5   0.584241D+01  0.850302D+00  0.106955D+01  0.108697D+01  0.439209D+01
      6  -0.767886D+00  0.841620D-01  0.663264D+01  0.992520D+01  0.202071D+01
               161           162           163           164           165 
      1  -0.100205D+02 -0.192381D+02 -0.143371D+01 -0.599628D+00  0.165342D+01
      2   0.729042D+01  0.836968D+00 -0.464823D+00 -0.947276D+00  0.158216D+00
      3   0.273010D+01  0.184011D+02  0.189853D+01  0.154690D+01 -0.181163D+01
      4   0.238302D+01  0.345463D+01 -0.210472D+00  0.384308D+01 -0.113033D+01
      5   0.321093D+01  0.848401D+01  0.819358D+00 -0.125940D+00  0.490766D+01
      6   0.168785D+02  0.335480D+02 -0.107412D+01  0.328415D+00  0.223280D+01
               166           167           168           169           170 
      1   0.109176D+01 -0.590062D+00 -0.511550D+00  0.198814D+01  0.371017D+01
      2  -0.272066D+01 -0.928959D+00 -0.376605D+01 -0.262133D+01 -0.381820D+01
      3   0.162890D+01  0.151902D+01  0.427760D+01  0.633186D+00  0.108025D+00
      4   0.301741D+01 -0.111212D+01  0.119542D+01 -0.287998D+01  0.267582D+01
      5   0.304523D+00  0.105228D+01  0.298255D+01  0.531226D+01 -0.682490D+00
      6   0.283259D+00 -0.962301D+00  0.250127D+01 -0.176396D+01  0.532125D+01
               171           172           173           174           175 
      1  -0.148063D+02  0.108218D+02 -0.181175D+01 -0.336889D+00 -0.125428D+00
      2  -0.149839D+02  0.453641D+01 -0.110348D+02  0.559804D+00 -0.114626D+02
      3   0.297901D+02 -0.153582D+02  0.128466D+02 -0.222915D+00  0.115880D+02
      4  -0.261760D+01 -0.266525D+02  0.250698D+02 -0.129142D+01  0.239623D+02
      5   0.118054D+02  0.239442D+01 -0.224162D+01  0.439015D+01 -0.211770D+01
      6  -0.182852D+02 -0.762865D+00  0.196375D+01 -0.334664D+01  0.218025D+01
               176           177           178           179           180 
      1  -0.680408D+01  0.394018D+00 -0.146030D+01 -0.364238D+00 -0.184894D+01
      2   0.254290D+02 -0.289053D+00  0.195870D+00  0.182504D+01  0.104720D+01
      3  -0.186249D+02 -0.104965D+00  0.126443D+01 -0.146080D+01  0.801745D+00
      4  -0.278314D+02  0.128590D+01  0.218009D+01 -0.185544D+01 -0.467833D+01
      5   0.128010D+01 -0.276325D+01  0.346709D+01 -0.346897D+01  0.496672D+00
      6  -0.200618D+01  0.490282D+01 -0.405919D+01  0.542830D+01 -0.885349D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130127D+01      0.330751D+01      0.110327D+02
   x         -0.635029D+00     -0.161408D+01     -0.538400D+01
   y          0.103621D+01      0.263379D+01      0.878537D+01
   z          0.465101D+00      0.118217D+01      0.394329D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.815558D+02      0.120853D+02      0.134467D+02
   aniso      0.149854D+02      0.222061D+01      0.247076D+01
   xx         0.871451D+02      0.129136D+02      0.143683D+02
   yx         0.737019D+00      0.109215D+00      0.121518D+00
   yy         0.856738D+02      0.126956D+02      0.141257D+02
   zx        -0.169420D+01     -0.251055D+00     -0.279336D+00
   zy         0.474104D+00      0.702549D-01      0.781691D-01
   zz         0.718484D+02      0.106468D+02      0.118462D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.861948D+02      0.127728D+02      0.142116D+02
   aniso      0.160677D+02      0.238098D+01      0.264920D+01
   xx         0.920085D+02      0.136342D+02      0.151701D+02
   yx         0.338643D+00      0.501817D-01      0.558347D-01
   yy         0.907925D+02      0.134541D+02      0.149697D+02
   zx        -0.194278D+01     -0.287890D+00     -0.320321D+00
   zy         0.707771D+00      0.104881D+00      0.116696D+00
   zz         0.757835D+02      0.112300D+02      0.124950D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.68190103          1.88501620         -0.55401912
     6          1.37098683         -0.18686918         -2.05747469
     6          0.25122016         -2.28063798         -0.47487676
     6         -1.63922935         -1.27838855          1.53051943
     8          1.25092154         -0.13710179         -4.33914099
     1          2.18241002          3.68354961         -1.43514127
     1          4.71897195          1.65056613         -0.82270585
     1          1.83495988         -3.19691212          0.49271277
     1         -0.62332898         -3.67573582         -1.70938844
     1         -1.56407535         -2.58405779          3.13002879
     6         -4.33594566         -1.27066845          0.50429118
     1         -4.46874226         -0.09896820         -1.19123260
     1         -5.65351164         -0.51319252          1.90091934
     1         -4.95652611         -3.17401542          0.00748489
     6          1.95595982          1.85488962          2.24875860
     6         -0.87976723          1.37005223          2.49220987
     1          2.47142246          3.64706536          3.12965759
     1          3.00940734          0.38761082          3.25452885
     1         -1.87598856          2.80397015          1.37873022
     1         -1.51312664          1.60657425          4.44109295

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130127D+01      0.330751D+01      0.110327D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.130127D+01      0.330751D+01      0.110327D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.815558D+02      0.120853D+02      0.134467D+02
   aniso      0.149854D+02      0.222061D+01      0.247076D+01
   xx         0.824986D+02      0.122250D+02      0.136022D+02
   yx         0.699503D+01      0.103656D+01      0.115332D+01
   yy         0.776227D+02      0.115025D+02      0.127982D+02
   zx        -0.248562D+01     -0.368331D+00     -0.409823D+00
   zy         0.266368D+01      0.394716D+00      0.439181D+00
   zz         0.845461D+02      0.125284D+02      0.139398D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.861948D+02      0.127728D+02      0.142116D+02
   aniso      0.160677D+02      0.238098D+01      0.264920D+01
   xx         0.868390D+02      0.128682D+02      0.143178D+02
   yx         0.732302D+01      0.108516D+01      0.120740D+01
   yy         0.817634D+02      0.121161D+02      0.134810D+02
   zx        -0.269459D+01     -0.399297D+00     -0.444278D+00
   zy         0.282331D+01      0.418372D+00      0.465502D+00
   zz         0.899821D+02      0.133340D+02      0.148361D+02

 ----------------------------------------------------------------------
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 I WANT IT ALL - RICH, THIN, AND CHOCOLATE.
 Job cpu time:       0 days  5 hours 48 minutes 59.2 seconds.
 Elapsed time:       0 days  0 hours 21 minutes 50.9 seconds.
 File lengths (MBytes):  RWF=    250 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 22:19:10 2021.
